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easyconfigs-it4i/m/MRCC/mrcc_files/2/BASIS/Be
Lukas Krupcik eb1ea94130 merge master
2024-07-25 10:27:17 +02:00

2218 lines
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Be:cc-pVDZ
Dunning's correlation consistent basis set
3
0 1 2
3 2 1
9 4 1
2940.000000000000 441.200000000000 100.500000000000 28.430000000000 9.169000000000 3.196000000000 1.159000000000 0.181100000000 0.058900000000
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0.029111000000 0.000000000000
0.169365000000 0.000000000000
0.513458000000 0.000000000000
0.479338000000 1.000000000000
0.238000000000
1.000000000000
Be:cc-pVTZ
Dunning's correlation consistent basis set
4
0 1 2 3
4 3 2 1
11 5 2 1
6863.000000000000 1030.000000000000 234.700000000000 66.560000000000 21.690000000000 7.734000000000 2.916000000000 1.130000000000 0.257700000000 0.110100000000 0.044090000000
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0.348000000000 0.180300000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.325000000000
1.000000000000
Be:cc-pVQZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
5 4 3 2 1
12 6 3 2 1
14630.000000000000 2191.000000000000 498.200000000000 140.900000000000 45.860000000000 16.470000000000 6.319000000000 2.535000000000 1.035000000000 0.252800000000 0.105200000000 0.042610000000
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Be:cc-pV5Z
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
6 5 4 3 2 1
14 8 4 3 2 1
54620.000000000000 8180.000000000000 1862.000000000000 527.300000000000 172.000000000000 62.100000000000 24.210000000000 9.993000000000 4.305000000000 1.921000000000 0.866300000000 0.247500000000 0.100900000000 0.041290000000
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Be:cc-pCVDZ
Dunning's correlation consistent basis set
3
0 1 2
4 3 1
10 5 1
2940.000000000000 441.200000000000 100.500000000000 28.430000000000 9.169000000000 3.196000000000 1.159000000000 0.181100000000 0.058900000000 1.860000000000
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0.479338000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.238000000000
1.000000000000
Be:cc-pCVTZ
Dunning's correlation consistent basis set
4
0 1 2 3
6 5 3 1
13 7 3 1
6863.000000000000 1030.000000000000 234.700000000000 66.560000000000 21.690000000000 7.734000000000 2.916000000000 1.130000000000 0.257700000000 0.110100000000 0.044090000000 4.604000000000 1.617000000000
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0.282162000000 -0.058138000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.325000000000
1.000000000000
Be:cc-pCVQZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
8 7 5 3 1
15 9 5 3 1
14630.000000000000 2191.000000000000 498.200000000000 140.900000000000 45.860000000000 16.470000000000 6.319000000000 2.535000000000 1.035000000000 0.252800000000 0.105200000000 0.042610000000 21.726000000000 7.866000000000 2.848000000000
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Be:aug-cc-pVDZ
Dunning's correlation consistent basis set
3
0 1 2
4 3 2
10 5 2
2940.000000000000 441.200000000000 100.500000000000 28.430000000000 9.169000000000 3.196000000000 1.159000000000 0.181100000000 0.058900000000 0.018770000000
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0.451469000000 -0.120723000000 0.000000000000 0.000000000000
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0.000000000000 1.000000000000
Be:aug-cc-pVTZ
Dunning's correlation consistent basis set
4
0 1 2 3
5 4 3 2
12 6 3 2
6863.000000000000 1030.000000000000 234.700000000000 66.560000000000 21.690000000000 7.734000000000 2.916000000000 1.130000000000 0.257700000000 0.110100000000 0.044090000000 0.015030000000
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Be:aug-cc-pVQZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
6 5 4 3 2
13 7 4 3 2
14630.000000000000 2191.000000000000 498.200000000000 140.900000000000 45.860000000000 16.470000000000 6.319000000000 2.535000000000 1.035000000000 0.252800000000 0.105200000000 0.042610000000 0.014390000000
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Be:aug-cc-pCVDZ
Dunning's correlation consistent basis set
3
0 1 2
5 4 2
11 6 2
2940.000000000000 441.200000000000 100.500000000000 28.430000000000 9.169000000000 3.196000000000 1.159000000000 0.181100000000 0.058900000000 1.860000000000 0.018770000000
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0.238000000000 0.074000000000
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0.000000000000 1.000000000000
Be:aug-cc-pCVTZ
Dunning's correlation consistent basis set
4
0 1 2 3
7 6 4 2
14 8 4 2
6863.000000000000 1030.000000000000 234.700000000000 66.560000000000 21.690000000000 7.734000000000 2.916000000000 1.130000000000 0.257700000000 0.110100000000 0.044090000000 4.604000000000 1.617000000000 0.015030000000
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0.062854000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.248180000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.523699000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.353425000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.348000000000 0.180300000000 9.183000000000 0.065400000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.325000000000 0.153300000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Be:aug-cc-pCVQZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
9 8 6 4 2
16 10 6 4 2
14630.000000000000 2191.000000000000 498.200000000000 140.900000000000 45.860000000000 16.470000000000 6.319000000000 2.535000000000 1.035000000000 0.252800000000 0.105200000000 0.042610000000 21.726000000000 7.866000000000 2.848000000000 0.014390000000
0.000092000000 -0.000017000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000713000000 -0.000130000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003735000000 -0.000679000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.015468000000 -0.002857000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.052874000000 -0.009813000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.145694000000 -0.028609000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.302681000000 -0.063760000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.404936000000 -0.117231000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.222387000000 -0.121202000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.012912000000 0.253229000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.004648000000 0.581837000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001228000000 0.291954000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.030000000000 3.168000000000 0.902400000000 0.303600000000 0.113000000000 0.042860000000 30.898000000000 10.365000000000 3.477000000000 0.006500000000
0.004099000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.025626000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.103768000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.311547000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.498128000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.258876000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.072000000000 0.441000000000 0.181100000000 30.390000000000 6.092000000000 0.055400000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.481000000000 0.255000000000 12.482000000000 0.093000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.415000000000 0.183400000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Be:cc-pVDZ-F12
Peterson's F12 basis set
3
0 1 2
5 5 2
12 6 2
6863.000000000000 1030.000000000000 234.700000000000 66.560000000000 21.690000000000 7.734000000000 2.916000000000 1.130000000000 0.110100000000 0.257700000000 0.044090000000 0.014700000000
0.000236000000 -0.000043000000 0.000000000000 0.000000000000 0.000000000000
0.001826000000 -0.000333000000 0.000000000000 0.000000000000 0.000000000000
0.009452000000 -0.001736000000 0.000000000000 0.000000000000 0.000000000000
0.037957000000 -0.007012000000 0.000000000000 0.000000000000 0.000000000000
0.119965000000 -0.023126000000 0.000000000000 0.000000000000 0.000000000000
0.282162000000 -0.058138000000 0.000000000000 0.000000000000 0.000000000000
0.427404000000 -0.114556000000 0.000000000000 0.000000000000 0.000000000000
0.266278000000 -0.135908000000 0.000000000000 0.000000000000 0.000000000000
-0.007275000000 0.577441000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.436000000000 1.577000000000 0.435200000000 0.143800000000 0.049940000000 0.009300000000
0.010736000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.062854000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.299284000000 0.125050000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Be:cc-pVTZ-F12
Peterson's F12 basis set
4
0 1 2 3
6 6 3 2
13 7 3 2
14630.000000000000 2191.000000000000 498.200000000000 140.900000000000 45.860000000000 16.470000000000 6.319000000000 2.535000000000 1.035000000000 0.252800000000 0.105200000000 0.042610000000 0.014100000000
0.000092000000 -0.000017000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000713000000 -0.000130000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003735000000 -0.000679000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.015468000000 -0.002857000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.052874000000 -0.009813000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.145694000000 -0.028609000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.302681000000 -0.063760000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.404936000000 -0.117231000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.222387000000 -0.121202000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.030000000000 3.168000000000 0.902400000000 0.303600000000 0.113000000000 0.042860000000 0.008400000000
0.004099000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.025626000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.467046000000 0.220597000000 0.104194000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.316640000000 0.145788000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Be:cc-pVQZ-F12
Peterson's F12 basis set
5
0 1 2 3 4
7 7 4 3 2
15 9 4 3 2
54620.000000000000 8180.000000000000 1862.000000000000 527.300000000000 172.000000000000 62.100000000000 24.210000000000 9.993000000000 4.305000000000 1.921000000000 0.866300000000 0.247500000000 0.100900000000 0.041290000000 0.012800000000
0.000018000000 -0.000003000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000138000000 -0.000025000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000723000000 -0.000131000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003039000000 -0.000558000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010908000000 -0.001988000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.034035000000 -0.006370000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.091193000000 -0.017217000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.199268000000 -0.040858000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.329355000000 -0.074237000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.340489000000 -0.119234000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
43.750000000000 10.330000000000 3.226000000000 1.127000000000 0.433400000000 0.180800000000 0.078270000000 0.033720000000 0.007600000000
0.000633000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004808000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.020527000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.026822000000 0.483892000000 0.228035000000 0.107462000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.438694000000 0.230223000000 0.120820000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.343616000000 0.167359000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Be:STO-3G
Pople's Gaussian basis set
2
0 1
2 1
6 3
30.167870700000 5.495115300000 1.487192700000 1.314833100000 0.305538900000 0.099370700000
0.154329000000 0.000000000000
0.535328100000 0.000000000000
0.444634500000 0.000000000000
0.000000000000 -0.099967200000
0.000000000000 0.399512800000
0.000000000000 0.700115500000
1.314833100000 0.305538900000 0.099370700000
0.155916300000
0.607683700000
0.391957400000
Be:3-21G
Pople's Gaussian basis set
2
0 1
3 2
6 3
71.887600000000 10.728900000000 2.222050000000 1.295480000000 0.268881000000 0.077350100000
0.064426300000 0.000000000000 0.000000000000
0.366096000000 0.000000000000 0.000000000000
0.695934000000 0.000000000000 0.000000000000
0.000000000000 -0.421064000000 0.000000000000
0.000000000000 1.224070000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.295480000000 0.268881000000 0.077350100000
0.205132000000 0.000000000000
0.882528000000 0.000000000000
0.000000000000 1.000000000000
Be:6-31G
Pople's Gaussian basis set
2
0 1
3 2
10 4
1264.585690000000 189.936806000000 43.159089000000 12.098662700000 3.806323200000 1.272890300000 3.196463100000 0.747813300000 0.219966300000 0.082309900000
0.001944800000 0.000000000000 0.000000000000
0.014835100000 0.000000000000 0.000000000000
0.072090500000 0.000000000000 0.000000000000
0.237154200000 0.000000000000 0.000000000000
0.469198700000 0.000000000000 0.000000000000
0.356520200000 0.000000000000 0.000000000000
0.000000000000 -0.112648700000 0.000000000000
0.000000000000 -0.229506400000 0.000000000000
0.000000000000 1.186916800000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.196463100000 0.747813300000 0.219966300000 0.082309900000
0.055980200000 0.000000000000
0.261550600000 0.000000000000
0.793972300000 0.000000000000
0.000000000000 1.000000000000
Be:6-311G
Pople's Gaussian basis set
2
0 1
4 3
11 5
1682.800000000000 251.715000000000 57.411600000000 16.517100000000 4.853640000000 0.626863000000 8.309380000000 1.740750000000 0.485816000000 0.163613000000 0.056728500000
0.002285700000 0.000000000000 0.000000000000 0.000000000000
0.017593800000 0.000000000000 0.000000000000 0.000000000000
0.086331500000 0.000000000000 0.000000000000 0.000000000000
0.281835000000 0.000000000000 0.000000000000 0.000000000000
0.640594000000 0.000000000000 0.000000000000 0.000000000000
0.144467000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.108621000000 0.000000000000 0.000000000000
0.000000000000 0.927301000000 0.000000000000 0.000000000000
0.000000000000 -0.002971700000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.309380000000 1.740750000000 0.485816000000 0.163613000000 0.056728500000
0.036134400000 0.000000000000 0.000000000000
0.216958000000 0.000000000000 0.000000000000
0.841839000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Be:6-31G*
Pople's Gaussian basis set
3
0 1 2
3 2 1
10 4 1
1264.585690000000 189.936806000000 43.159089000000 12.098662700000 3.806323200000 1.272890300000 3.196463100000 0.747813300000 0.219966300000 0.082309900000
0.001944800000 0.000000000000 0.000000000000
0.014835100000 0.000000000000 0.000000000000
0.072090500000 0.000000000000 0.000000000000
0.237154200000 0.000000000000 0.000000000000
0.469198700000 0.000000000000 0.000000000000
0.356520200000 0.000000000000 0.000000000000
0.000000000000 -0.112648700000 0.000000000000
0.000000000000 -0.229506400000 0.000000000000
0.000000000000 1.186916800000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.196463100000 0.747813300000 0.219966300000 0.082309900000
0.055980200000 0.000000000000
0.261550600000 0.000000000000
0.793972300000 0.000000000000
0.000000000000 1.000000000000
0.400000000000
1.000000000000
Be:6-311G*
Pople's Gaussian basis set
3
0 1 2
4 3 1
11 5 1
1682.800000000000 251.715000000000 57.411600000000 16.517100000000 4.853640000000 0.626863000000 8.309380000000 1.740750000000 0.485816000000 0.163613000000 0.056728500000
0.002285700000 0.000000000000 0.000000000000 0.000000000000
0.017593800000 0.000000000000 0.000000000000 0.000000000000
0.086331500000 0.000000000000 0.000000000000 0.000000000000
0.281835000000 0.000000000000 0.000000000000 0.000000000000
0.640594000000 0.000000000000 0.000000000000 0.000000000000
0.144467000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.108621000000 0.000000000000 0.000000000000
0.000000000000 0.927301000000 0.000000000000 0.000000000000
0.000000000000 -0.002971700000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.309380000000 1.740750000000 0.485816000000 0.163613000000 0.056728500000
0.036134400000 0.000000000000 0.000000000000
0.216958000000 0.000000000000 0.000000000000
0.841839000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.255000000000
1.000000000000
Be:6-31+G*
Pople's Gaussian basis set
3
0 1 2
4 3 1
11 5 1
1264.585700000000 189.936810000000 43.159089000000 12.098663000000 3.806323200000 1.272890300000 3.196463100000 0.747813300000 0.219966300000 0.082309900000 0.020700000000
0.001944800000 0.000000000000 0.000000000000 0.000000000000
0.014835100000 0.000000000000 0.000000000000 0.000000000000
0.072090600000 0.000000000000 0.000000000000 0.000000000000
0.237154200000 0.000000000000 0.000000000000 0.000000000000
0.469198700000 0.000000000000 0.000000000000 0.000000000000
0.356520200000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.112648700000 0.000000000000 0.000000000000
0.000000000000 -0.229506400000 0.000000000000 0.000000000000
0.000000000000 1.186916700000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.196463100000 0.747813300000 0.219966300000 0.082309900000 0.020700000000
0.055980200000 0.000000000000 0.000000000000
0.261550600000 0.000000000000 0.000000000000
0.793972300000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.400000000000
1.000000000000
Be:6-311+G*
Pople's Gaussian basis set
3
0 1 2
5 4 1
12 6 1
1682.800000000000 251.715000000000 57.411600000000 16.517100000000 4.853640000000 0.626863000000 8.309380000000 1.740750000000 0.485816000000 0.163613000000 0.056728500000 0.020700000000
0.002285700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.017593800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.086331500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.281835000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.640594000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.144467000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.108621000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.927301000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.002971600000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.309380000000 1.740750000000 0.485816000000 0.163613000000 0.056728500000 0.020700000000
0.036134400000 0.000000000000 0.000000000000 0.000000000000
0.216958000000 0.000000000000 0.000000000000 0.000000000000
0.841839000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.255000000000
1.000000000000
Be:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
2
0 1
3 2
7 4
515.186161250000 77.511037595000 17.552481693000 4.802894059600 1.451621431600 0.132816336200 0.045837372213
0.005561530798 0.000000000000 0.000000000000
0.041190068062 0.000000000000 0.000000000000
0.179133781080 0.000000000000 0.000000000000
0.447367164550 0.000000000000 0.000000000000
0.420095819200 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.631691714500 0.716956943660 0.195419328600 0.060515465890
-0.029033998305 0.000000000000
-0.168778540320 0.000000000000
-0.514034196280 0.000000000000
0.000000000000 1.000000000000
Be:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
2
0 1
3 2
7 4
515.186161250000 77.511037595000 17.552481693000 4.802894059600 1.451621431600 0.132816336200 0.045837372213
0.005561530798 0.000000000000 0.000000000000
0.041190068062 0.000000000000 0.000000000000
0.179133781080 0.000000000000 0.000000000000
0.447367164550 0.000000000000 0.000000000000
0.420095819200 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.631691714500 0.716956943660 0.195419328600 0.060515465890
-0.029033998305 0.000000000000
-0.168778540320 0.000000000000
-0.514034196280 0.000000000000
0.000000000000 1.000000000000
Be:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 3 1
11 4 1
4700.236562600000 704.828456220000 160.431104780000 45.425347336000 14.798334125000 5.351245253700 2.154204481900 0.933637444000 0.187914329890 0.074648267947 0.032650484598
0.000235843893 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001824379102 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009396614822 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036908924159 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.108975612810 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.216942845510 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.446954088570 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.208669857710 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.631691714500 0.716956943660 0.195419328600 0.060515465890
-0.029033998305 0.000000000000 0.000000000000
0.000000000000 -0.168778540320 0.000000000000
0.000000000000 -0.514034196280 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.180000000000
1.000000000000
Be:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 3 1
11 4 1
4700.236562600000 704.828456220000 160.431104780000 45.425347336000 14.798334125000 5.351245253700 2.154204481900 0.933637444000 0.187914329890 0.074648267947 0.032650484598
0.000235843893 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001824379102 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009396614822 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036908924159 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.108975612810 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.216942845510 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.446954088570 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.208669857710 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.631691714500 0.716956943660 0.195419328600 0.060515465890
-0.029033998305 0.000000000000 0.000000000000
0.000000000000 -0.168778540320 0.000000000000
0.000000000000 -0.514034196280 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.180000000000
1.000000000000
Be:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
7 4 2 1
15 7 2 1
29646.704407000001 4428.761435400000 1005.470133200000 284.153395780000 92.504356461000 33.311016058000 12.911553314000 5.266549736100 22.995386380000 6.623635417600 2.228959500300 0.953024334510 0.246516024360 0.101538953150 0.041551374604
0.000037943321 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000296053526 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001557247736 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.006532319577 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.023116861005 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.069458515249 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.170143713310 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.316827113740 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.081791122747 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.800000380230 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.099789445000 3.180318848200 0.904892204960 0.304115855080 0.113026066570 0.042831733691 6.400000000000
0.003850887115 0.000000000000 0.000000000000 0.000000000000
0.024152380771 0.000000000000 0.000000000000 0.000000000000
0.097926925156 0.000000000000 0.000000000000 0.000000000000
0.294703800300 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.360000000000 0.090000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.290000000000
1.000000000000
Be:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
7 4 2 1
15 7 2 1
29646.704407000001 4428.761435400000 1005.470133200000 284.153395780000 92.504356461000 33.311016058000 12.911553314000 5.266549736100 22.995386380000 6.623635417600 2.228959500300 0.953024334510 0.246516024360 0.101538953150 0.041551374604
0.000037943321 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000296053526 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001557247736 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.006532319577 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.023116861005 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.069458515249 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.170143713310 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.316827113740 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.081791122747 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.800000380230 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.099789445000 3.180318848200 0.904892204960 0.304115855080 0.113026066570 0.042831733691 6.400000000000
0.003850887115 0.000000000000 0.000000000000 0.000000000000
0.024152380771 0.000000000000 0.000000000000 0.000000000000
0.097926925156 0.000000000000 0.000000000000 0.000000000000
0.294703800300 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.360000000000 0.090000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.290000000000
1.000000000000
Be:def2-SVPD
Weigend and Ahlrichs' Gaussian basis set
2
0 1
3 3
7 5
515.186161250000 77.511037595000 17.552481693000 4.802894059600 1.451621431600 0.132816336200 0.045837372213
0.005561530798 0.000000000000 0.000000000000
0.041190068062 0.000000000000 0.000000000000
0.179133781080 0.000000000000 0.000000000000
0.447367164550 0.000000000000 0.000000000000
0.420095819200 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.631691714500 0.716956943660 0.195419328600 0.060515465890 0.030181880660
-0.029033998305 0.000000000000 0.000000000000
-0.168778540320 0.000000000000 0.000000000000
-0.514034196280 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Be:def2-TZVPD
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 4 1
11 5 1
4700.236562600000 704.828456220000 160.431104780000 45.425347336000 14.798334125000 5.351245253700 2.154204481900 0.933637444000 0.187914329890 0.074648267947 0.032650484598
0.000235843893 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001824379102 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009396614822 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036908924159 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.108975612810 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.216942845510 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.446954088570 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.208669857710 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.631691714500 0.716956943660 0.195419328600 0.060515465890 0.027726324608
-0.029033998305 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.168778540320 0.000000000000 0.000000000000
0.000000000000 -0.514034196280 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.180000000000
1.000000000000
Be:def2-TZVPPD
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 4 1
11 5 1
4700.236562600000 704.828456220000 160.431104780000 45.425347336000 14.798334125000 5.351245253700 2.154204481900 0.933637444000 0.187914329890 0.074648267947 0.032650484598
0.000235843893 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001824379102 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009396614822 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036908924159 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.108975612810 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.216942845510 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.446954088570 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.208669857710 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.631691714500 0.716956943660 0.195419328600 0.060515465890 0.027726324608
-0.029033998305 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.168778540320 0.000000000000 0.000000000000
0.000000000000 -0.514034196280 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.180000000000
1.000000000000
Be:def2-QZVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
7 4 2 1
15 7 2 1
29646.704407000001 4428.761435400000 1005.470133200000 284.153395780000 92.504356461000 33.311016058000 12.911553314000 5.266549736100 22.995386380000 6.623635417600 2.228959500300 0.953024334510 0.246516024360 0.101538953150 0.041551374604
0.000037943321 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000296053526 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001557247736 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.006532319577 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.023116861005 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.069458515249 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.170143713310 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.316827113740 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.081791122747 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.800000380230 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.099789445000 3.180318848200 0.904892204960 0.304115855080 0.113026066570 0.042831733691 6.400000000000
0.003850887115 0.000000000000 0.000000000000 0.000000000000
0.024152380771 0.000000000000 0.000000000000 0.000000000000
0.097926925156 0.000000000000 0.000000000000 0.000000000000
0.294703800300 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.360000000000 0.090000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.290000000000
1.000000000000
Be:def2-QZVPPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
7 4 2 1
15 7 2 1
29646.704407000001 4428.761435400000 1005.470133200000 284.153395780000 92.504356461000 33.311016058000 12.911553314000 5.266549736100 22.995386380000 6.623635417600 2.228959500300 0.953024334510 0.246516024360 0.101538953150 0.041551374604
0.000037943321 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000296053526 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001557247736 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.006532319577 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.023116861005 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.069458515249 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.170143713310 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.316827113740 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.081791122747 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.800000380230 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.099789445000 3.180318848200 0.904892204960 0.304115855080 0.113026066570 0.042831733691 6.400000000000
0.003850887115 0.000000000000 0.000000000000 0.000000000000
0.024152380771 0.000000000000 0.000000000000 0.000000000000
0.097926925156 0.000000000000 0.000000000000 0.000000000000
0.294703800300 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.360000000000 0.090000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.290000000000
1.000000000000
Be:LANL2DZ
Hay and Wadt's LANL2DZ Gaussian basis set
2
0 1
3 2
10 5
1741.000000000000 262.100000000000 60.330000000000 17.620000000000 5.933000000000 2.185000000000 0.859000000000 2.185000000000 0.180600000000 0.058350000000
0.001305000000 0.000000000000 0.000000000000
0.009955000000 0.000000000000 0.000000000000
0.048031000000 0.000000000000 0.000000000000
0.158577000000 0.000000000000 0.000000000000
0.351325000000 0.000000000000 0.000000000000
0.427006000000 0.000000000000 0.000000000000
0.160490000000 0.000000000000 0.000000000000
0.000000000000 -0.185294000000 0.000000000000
0.000000000000 1.057014000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
6.710000000000 1.442000000000 0.410300000000 0.139700000000 0.049220000000
0.016378000000 0.000000000000
0.091553000000 0.000000000000
0.341469000000 0.000000000000
0.685428000000 0.000000000000
0.000000000000 1.000000000000
Be:cc-pVDZ-RI
Weigend's auxiliary basis set
4
0 1 2 3
7 5 4 2
7 5 4 2
41.874600000000 8.512170000000 3.106850000000 1.069500000000 0.431430000000 0.213349000000 0.124175000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.760070000000 2.640580000000 0.788905000000 0.316492000000 0.126019000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.313690000000 0.700086000000 0.353642000000 0.170008000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.022190000000 0.452039000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Be:cc-pVTZ-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
8 6 5 3 1
8 6 5 3 1
115.410000000000 27.420100000000 8.957890000000 3.300360000000 1.079390000000 0.450645000000 0.186293000000 0.102049000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.958500000000 3.563240000000 1.152630000000 0.550086000000 0.244500000000 0.107562000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.022910000000 1.698000000000 0.488912000000 0.265357000000 0.100698000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.670530000000 0.452696000000 0.254672000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.500000000000
1.000000000000
Be:cc-pVQZ-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
8 7 6 5 3 1
8 7 6 5 3 1
136.646000000000 28.392100000000 8.689180000000 3.780200000000 1.162780000000 0.430644000000 0.186010000000 0.097390700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
22.239400000000 6.381570000000 2.554600000000 1.015980000000 0.444495000000 0.201832000000 0.094812700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.496130000000 3.042720000000 1.184510000000 0.584073000000 0.278041000000 0.162619000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.401820000000 1.481350000000 0.623318000000 0.344031000000 0.140547000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.860070000000 0.536220000000 0.272843000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.535704000000
1.000000000000
Be:cc-pV5Z-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
10 8 7 6 4 3 1
10 8 7 6 4 3 1
155.476000000000 33.616500000000 9.865750000000 5.187230000000 2.048250000000 0.941824000000 0.494373000000 0.304521000000 0.168188000000 0.090836400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
29.226300000000 8.190870000000 3.244700000000 1.274640000000 0.594885000000 0.289372000000 0.148487000000 0.078546500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.776100000000 3.818020000000 1.733830000000 0.897386000000 0.453927000000 0.238389000000 0.136955000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.091040000000 1.761390000000 0.874992000000 0.497082000000 0.330842000000 0.205294000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.356140000000 0.727039000000 0.515330000000 0.380351000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.504620000000 0.672211000000 0.511708000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.672211000000
1.000000000000
Be:def2-SV(P)-RI
Weigend's auxiliary basis set
3
0 1 2
5 4 2
9 5 3
86.811012120000 17.981749750000 7.769588940000 2.771774550000 1.148463690000 0.393302030000 0.231354140000 0.096824600000 0.056587970000
1.188202400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.712847900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.071295900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.219824500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.589362170000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.776396120000 2.912441940000 0.645248080000 0.238293840000 0.140172850000
2.283169300000 0.000000000000 0.000000000000 0.000000000000
2.271452800000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.467238450000 0.583048930000 0.173842570000
0.634890640000 0.000000000000
1.951503260000 0.000000000000
0.000000000000 1.000000000000
Be:def2-SVP-RI
Weigend's auxiliary basis set
3
0 1 2
5 4 2
9 5 3
86.811012120000 17.981749750000 7.769588940000 2.771774550000 1.148463690000 0.393302030000 0.231354140000 0.096824600000 0.056587970000
1.188202400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.712847900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.071295900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.219824500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.589362170000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.776396120000 2.912441940000 0.645248080000 0.238293840000 0.140172850000
2.283169300000 0.000000000000 0.000000000000 0.000000000000
2.271452800000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.467238450000 0.583048930000 0.173842570000
0.634890640000 0.000000000000
1.951503260000 0.000000000000
0.000000000000 1.000000000000
Be:def2-TZVP-RI
Weigend's auxiliary basis set
4
0 1 2 3
9 6 3 1
9 6 3 1
86.811000000000 17.981700000000 7.769590000000 2.771770000000 1.148460000000 0.393302000000 0.231354000000 0.096824600000 0.056588000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.196300000000 6.339130000000 2.723540000000 0.747063000000 0.304757000000 0.127151000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.755390000000 0.464602000000 0.270137000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.222911000000
1.000000000000
Be:def2-TZVPP-RI
Weigend's auxiliary basis set
4
0 1 2 3
9 6 3 1
9 6 3 1
86.811000000000 17.981700000000 7.769590000000 2.771770000000 1.148460000000 0.393302000000 0.231354000000 0.096824600000 0.056588000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.196300000000 6.339130000000 2.723540000000 0.747063000000 0.304757000000 0.127151000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.755390000000 0.464602000000 0.270137000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.222911000000
1.000000000000
Be:def2-QZVP-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
9 7 5 4 2
9 7 5 4 2
176.628000000000 39.697700000000 11.056000000000 5.349330000000 2.226410000000 1.103260000000 0.388735000000 0.182593000000 0.095547700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
21.936200000000 9.173460000000 3.035090000000 0.702228000000 0.330180000000 0.179826000000 0.096195500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.399610000000 1.091980000000 0.470667000000 0.193370000000 0.104236000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.526960000000 0.406414000000 0.143921000000 0.057917600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.389438000000 0.151419000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Be:def2-QZVPP-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
9 7 5 4 2
9 7 5 4 2
176.628000000000 39.697700000000 11.056000000000 5.349330000000 2.226410000000 1.103260000000 0.388735000000 0.182593000000 0.095547700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
21.936200000000 9.173460000000 3.035090000000 0.702228000000 0.330180000000 0.179826000000 0.096195500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.399610000000 1.091980000000 0.470667000000 0.193370000000 0.104236000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.526960000000 0.406414000000 0.143921000000 0.057917600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.389438000000 0.151419000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Be:def2-SVPD-RI
Weigend's auxiliary basis set
3
0 1 2
6 5 3
10 6 4
86.811012120000 17.981749750000 7.769588940000 2.771774550000 1.148463690000 0.393302030000 0.231354140000 0.096824600000 0.056587970000 0.035350000000
1.188202400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.712847900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.071295900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.219824500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.589362170000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.776396120000 2.912441940000 0.645248080000 0.238293840000 0.140172850000 0.055583700000
2.283169300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
2.271452800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.467238450000 0.583048930000 0.173842570000 0.050924400000
0.634890640000 0.000000000000 0.000000000000
1.951503260000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Be:def2-TZVPD-RI
Weigend's auxiliary basis set
4
0 1 2 3
10 7 4 1
10 7 4 1
86.811000000000 17.981700000000 7.769590000000 2.771770000000 1.148460000000 0.393302000000 0.231354000000 0.096824600000 0.056588000000 0.001483880000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.196300000000 6.339130000000 2.723540000000 0.747063000000 0.304757000000 0.127151000000 0.055867700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.755390000000 0.464602000000 0.270137000000 0.150925000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.222911000000
1.000000000000
Be:def2-TZVPPD-RI
Weigend's auxiliary basis set
4
0 1 2 3
10 7 4 1
10 7 4 1
86.811000000000 17.981700000000 7.769590000000 2.771770000000 1.148460000000 0.393302000000 0.231354000000 0.096824600000 0.056588000000 0.001483880000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.196300000000 6.339130000000 2.723540000000 0.747063000000 0.304757000000 0.127151000000 0.055867700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.755390000000 0.464602000000 0.270137000000 0.150925000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.222911000000
1.000000000000
Be:def2-QZVPPD-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
9 7 5 4 2
9 7 5 4 2
176.628000000000 39.697700000000 11.056000000000 5.349330000000 2.226410000000 1.103260000000 0.388735000000 0.182593000000 0.095547700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
21.936200000000 9.173460000000 3.035090000000 0.702228000000 0.330180000000 0.179826000000 0.096195500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.399610000000 1.091980000000 0.470667000000 0.193370000000 0.104236000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.526960000000 0.406414000000 0.143921000000 0.057917600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.389438000000 0.151419000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Be:def2-QZVPP-RI-JK
Weigend's Coulomb/exchange fitting basis set
4
0 1 2 3
7 5 3 2
10 7 4 2
145.425355000000 43.759339000000 14.810954000000 5.621022300000 2.377268300000 1.109202000000 0.562724000000 0.304470500000 0.171585800000 0.098056500000
0.170300482600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.407978015300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.766311205600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.466174667700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
13.964325300000 4.596324700000 1.719576600000 0.719823200000 0.329289000000 0.159519500000 0.078826500000
0.416839782500 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.705943519000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.572615354100 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.456648400000 0.853081200000 0.296241800000 0.102873900000
0.130796925500 0.000000000000 0.000000000000
0.991409181100 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.709008000000 0.202573714000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Be:def2-QZVPP-RI-J
Weigend's Coulomb fitting basis set
5
0 1 2 3 4
6 4 3 1 1
12 5 4 2 1
931.393202000000 309.138476700000 109.757933400000 41.560905200000 16.718623500000 7.109525000000 3.176841700000 1.481094100000 0.714606600000 0.353601500000 0.177694500000 0.089762500000
0.033973600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.076922400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.277046600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.642382600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.088845800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.916247300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.283256300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.078436300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.016934900000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.093808900000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.054479600000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.005648000000
4.876849000000 1.868600000000 0.705911900000 0.264448000000 0.098792000000
0.000646600000 0.000000000000 0.000000000000 0.000000000000
0.016906100000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.027199400000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.019019900000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.005420100000
1.570385200000 0.673368400000 0.329982700000 0.169792700000
0.003607500000 0.000000000000 0.000000000000
0.020878800000 0.000000000000 0.000000000000
0.000000000000 0.008499900000 0.000000000000
0.000000000000 0.000000000000 0.003981900000
2.279451500000 0.921538400000
-0.000553900000
0.003540700000
1.389334100000
-0.000633400000
Be:cc-pVDZ-F12-OPTRI
Peterson's CABS RI basis set
5
0 1 2 3 4
4 4 4 3 1
4 4 4 3 1
0.877970000000 0.459540000000 0.114360000000 0.029150000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.974590000000 0.290160000000 0.094120000000 0.032300000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.879520000000 0.474110000000 0.198980000000 0.089097400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.195245700000 0.350104200000 0.088989300000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.560963800000
1.000000000000
Be:cc-pVTZ-F12-OPTRI
Peterson's CABS RI basis set
5
0 1 2 3 4
4 4 4 3 2
4 4 4 3 2
1.038925300000 0.193127900000 0.072168400000 0.055471900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.845899400000 0.539859500000 0.147179200000 0.055826200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.464530000000 0.358774400000 0.139983400000 0.074437400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.066306700000 0.442774600000 0.189659600000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.629332400000 0.280680300000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Be:cc-pVQZ-F12-OPTRI
Peterson's CABS RI basis set
6
0 1 2 3 4 5
4 4 4 3 2 1
4 4 4 3 2 1
1.153847600000 0.678982800000 0.146462900000 0.075964500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.678966600000 0.866359300000 0.332043300000 0.137114000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.383150100000 0.631338700000 0.358486300000 0.152903800000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.566109400000 0.858075500000 0.312503100000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.446873800000 0.218035500000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.473748100000
1.000000000000
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