easyconfigs-it4i/m/MRCC/mrcc_files/2/BASIS/Bond

BFH:6-31G-1s                                                    
Bond functions                                                  
 
    1
 
    0.6304
 
    1
    0
    1
    1
 
    1.3176
 
    1.0000

BFH:6-31G-2s                                                    
Bond functions                                                  
 
    2
 
   -0.2731
 
    1
    0
    1
    1
 
    0.0983
 
    1.0000
 
    0.6382
 
    1
    0
    1
    1
 
    1.2887
 
    1.0000
 
BFH:6-31G-3s                                                    
Bond functions                                                  
 
    3
 
    0.1122
 
    1
    0
    1
    1
 
    0.3407
 
    1.0000
 
   -0.1142
 
    1
    0
    1
    1
 
    0.1421
 
    1.0000
 
    0.6355
 
    1
    0
    1
    1
 
    1.3006
 
    1.0000
 
BFH:6-31G-4s                                                    
Bond functions                                                  
 
    4
 
    0.1454
 
    1
    0
    1
    1
 
    0.3297
 
    1.0000
 
   -0.1258
 
    1
    0
    1
    1
 
    0.1352
 
    1.0000
 
    0.4545
 
    1
    0
    1
    1
 
    1.1136
 
    1.0000
 
    0.3593
 
    1
    0
    1
    1
 
    1.0668
 
    1.0000
 
BFH:6-31G-1p                                                    
Bond functions                                                  
 
    1
 
    0.3926
 
    1
    1
    1
    1
 
    1.1461
 
    1.0000
 
BFH:6-31G-1d                                                    
Bond functions                                                  
 
    1
 
    0.1446
 
    1
    2
    1
    1
 
    0.9264
 
    1.0000
 
BFH:6-31G-1p1d                                                  
Bond functions                                                  
 
    2
 
    0.3654
 
    1
    1
    1
    1
 
    1.2428
 
    1.0000
 
    0.3777
 
    1
    2
    1
    1
 
    0.3862
 
    1.0000
 
BFH:6-31G-1s1p1d                                                
Bond functions                                                  
 
    3
 
    0.6454
 
    1
    0
    1
    1
 
    1.3790
 
    1.0000
 
    0.4493
 
    1
    1
    1
    1
 
    0.1023
 
    1.0000
 
    0.1809
 
    1
    2
    1
    1
 
    0.8463
 
    1.0000

BFH:6-31G-2p                                                    
Bond functions                                                  
 
    2
 
    0.8398
 
    1
    1
    1
    1
 
    0.9412
 
    1.0000
 
    0.3527
 
    1
    1
    1
    1
 
    0.1071
 
    1.0000
 
BFH:6-31G-1s1p                                                  
Bond functions                                                  
 
    2
 
    0.6370
 
    1
    0
    1
    1
 
    1.3233
 
    1.0000
 
    0.5169
 
    1
    1
    1
    1
 
    0.1258
 
    1.0000
 
BFH:6-31G-1s2p                                                  
Bond functions                                                  
 
    3
 
    0.6495
 
    1
    0
    1
    1
 
    1.2808
 
    1.0000
 
    0.5271
 
    1
    1
    1
    1
 
    0.6666
 
    1.0000
 
    0.2731
 
    1
    1
    1
    1
 
    0.1123
 
    1.0000
 
BFH:cc-pVDZ-1s                                                  
Bond functions                                                  
 
    1
 
    0.4668
 
    1
    0
    1
    1
 
    0.3511
 
    1.0000
 
BFH:cc-pVDZ-2s                                                  
Bond functions                                                  
 
    2
 
   -0.2423
 
    1
    0
    1
    1
 
    0.1146
 
    1.0000
 
    0.6292
 
    1
    0
    1
    1
 
    0.3571
 
    1.0000
 
BFH:cc-pVDZ-3s                                                  
Bond functions                                                  
 
    3
 
   -0.2463
 
    1
    0
    1
    1
 
    0.1146
 
    1.0000
 
    0.4670
 
    1
    0
    1
    1
 
    2.0729
 
    1.0000
 
    0.7232
 
    1
    0
    1
    1
 
    0.3679
 
    1.0000
 
BFH:cc-pVDZ-1p                                                  
Bond functions                                                  
 
    1
 
   -0.0422
 
    1
    1
    1
    1
 
    1.1832
 
    1.0000
 
BFH:cc-pVDZ-1d                                                  
Bond functions                                                  
 
    1
 
    0.0435
 
    1
    2
    1
    1
 
    1.6354
 
    1.0000
 
BFH:cc-pVDZ-1f                                                  
Bond functions                                                  
 
    1
 
    0.0213
 
    1
    3
    1
    1
 
    1.8477
 
    1.0000
 
BFH:cc-pVDZ-2p                                                  
Bond functions                                                  
 
    2
 
   -0.0218
 
    1
    1
    1
    1
 
    1.2415
 
    1.0000
 
    0.2748
 
    1
    1
    1
    1
 
    1.6745
 
    1.0000
 
BFH:cc-pVDZ-3p                                                  
Bond functions                                                  
 
    3
 
   -0.0755
 
    1
    1
    1
    1
 
    1.2854
 
    1.0000
 
    0.2190
 
    1
    1
    1
    1
 
    2.6350
 
    1.0000
 
    0.5134
 
    1
    1
    1
    1
 
    1.4072
 
    1.0000
 
BFH:cc-pVDZ-1s1p                                                
Bond functions                                                  
 
    2
 
    0.6184
 
    1
    0
    1
    1
 
    0.3548
 
    1.0000
 
    0.3886
 
    1
    1
    1
    1
 
    0.1031
 
    1.0000
 
BFH:cc-pVDZ-1s1p1d                                              
Bond functions                                                  
 
    3
 
    0.0441
 
    1
    2
    1
    1
 
    1.6290
 
    1.0000
 
    0.6681
 
    1
    0
    1
    1
 
    0.3484
 
    1.0000
 
    0.3864
 
    1
    1
    1
    1
 
    0.1057
 
    1.0000
 
BFH:cc-pVDZ-1s1p1d1f                                            
Bond functions                                                  
 
    4
 
    0.0168
 
    1
    3
    1
    1
 
    1.8563
 
    1.0000
 
    0.0526
 
    1
    2
    1
    1
 
    0.5115
 
    1.0000
 
    0.6525
 
    1
    0
    1
    1
 
    0.3628
 
    1.0000
 
    0.3387
 
    1
    1
    1
    1
 
    0.1007
 
    1.0000
 
BFH:cc-pVDZ-2s1p1d1f                                            
Bond functions                                                  
 
    5
 
    0.0169
 
    1
    3
    1
    1
 
    1.8573
 
    1.0000
 
    0.0578
 
    1
    2
    1
    1
 
    0.5160
 
    1.0000
 
    0.6771
 
    1
    0
    1
    1
 
    0.3680
 
    1.0000
 
    0.3394
 
    1
    1
    1
    1
 
    0.1010
 
    1.0000
 
   -0.0257
 
    1
    0
    1
    1
 
    2.8268
 
    1.0000
 
BFH:cc-pVDZ-2s2p1d1f                                            
Bond functions                                                  
 
    6
 
    0.0190
 
    1
    3
    1
    1
 
    1.8350
 
    1.0000
 
    0.0400
 
    1
    2
    1
    1
 
    0.5061
 
    1.0000
 
    0.6445
 
    1
    0
    1
    1
 
    0.3587
 
    1.0000
 
    0.3442
 
    1
    1
    1
    1
 
    0.0992
 
    1.0000
 
    0.0180
 
    1
    1
    1
    1
 
    1.1691
 
    1.0000
 
   -0.0018
 
    1
    0
    1
    1
 
    2.8773
 
    1.0000
 
BFH:cc-pVDZ-2s1p                                                
Bond functions                                                  
 
    3
 
    0.7217
 
    1
    0
    1
    1
 
    0.3661
 
    1.0000
 
    0.4619
 
    1
    0
    1
    1
 
    2.0000
 
    1.0000
 
    0.3838
 
    1
    1
    1
    1
 
    0.1052
 
    1.0000
 
BFH:cc-pVDZ-2s2p                                                
Bond functions                                                  
 
    4
 
    0.6237
 
    1
    0
    1
    1
 
    0.3585
 
    1.0000
 
   -0.0046
 
    1
    0
    1
    1
 
    2.8431
 
    1.0000
 
    0.3954
 
    1
    1
    1
    1
 
    0.1037
 
    1.0000
 
    0.0230
 
    1
    1
    1
    1
 
    1.1785
 
    1.0000
 
 







BCH:cc-pVDZ-2s2p1d
Bond functions

    5

    0.4000

    1
    0
    1
    1

    0.39

    1.0

    0.3001

    1
    0
    1
    1

    1.6

    1.0

    0.4102

    1
    1
    1
    1

    0.4

    1.0

    0.4003

    1
    1
    1
    1

    1.1

    1.0

    0.4503

    1
    2
    1
    1

    0.4

    1.0

BCH:cc-pVDZ-2s2p
Bond functions

    4

    0.4000

    1
    0
    1
    1

    0.39

    1.0

    0.3001

    1
    0
    1
    1

    1.6

    1.0

    0.4102

    1
    1
    1
    1

    0.4

    1.0

    0.4003

    1
    1
    1
    1

    1.1

    1.0

BCH:cc-pVDZ-2s
Bond functions

    2

    0.1

    1
    0
    1
    1

    0.4

    1.0

    0.11

    1
    0
    1
    1

    0.4

    1.0

BCH:cc-pVDZ-1s
Bond functions

    1

    0.1

    1
    0
    1
    1

    0.4

    1.0

BCH:6-31G-1s                                                    
Bond functions                                                  
 
    1
 
    0.6172
 
    1
    0
    1
    1
 
    1.2516
 
    1.0000
 
BCH:6-31G-2s                                                    
Bond functions                                                  
 
    2
 
    0.6391
 
    1
    0
    1
    1
 
    1.2929
 
    1.0000
 
   -0.4433
 
    1
    0
    1
    1
 
    0.9443
 
    1.0000
 
BCH:6-31G-3s                                                    
Bond functions                                                  
 
    3
 
    0.6876
 
    1
    0
    1
    1
 
    1.4882
 
    1.0000
 
   -0.1819
 
    1
    0
    1
    1
 
    2.1363
 
    1.0000
 
   -0.5545
 
    1
    0
    1
    1
 
    0.7613
 
    1.0000
 
BCH:6-31G-4s                                                    
Bond functions                                                  
 
    4
 
    0.6860
 
    1
    0
    1
    1
 
    1.5078
 
    1.0000
 
   -0.4646
 
    1
    0
    1
    1
 
    0.7838
 
    1.0000
 
   -0.1978
 
    1
    0
    1
    1
 
    2.6007
 
    1.0000
 
   -1.1897
 
    1
    0
    1
    1
 
    0.3155
 
    1.0000
 
BCH:6-31G-1p                                                    
Bond functions                                                  
 
    1
 
    0.2604
 
    1
    1
    1
    1
 
    0.8772
 
    1.0000
 
BCH:6-31G-1d                                                    
Bond functions                                                  
 
    1
 
    0.6878
 
    1
    2
    1
    1
 
    0.7125
 
    1.0000
 
BCH:6-31G-1s1p                                                  
Bond functions                                                  
 
    2
 
    0.8786
 
    1
    1
    1
    1
 
    1.1187
 
    1.0000
 
   -0.4591
 
    1
    0
    1
    1
 
    0.7871
 
    1.0000
 
BCH:6-31G-1p1d                                                  
Bond functions                                                  
 
    2
 
    0.3086
 
    1
    1
    1
    1
 
    1.3642
 
    1.0000
 
    0.7393
 
    1
    2
    1
    1
 
    0.5695
 
    1.0000
 
BCH:6-31G-1s1p1d                                                
Bond functions                                                  
 
    3
 
    0.5122
 
    1
    0
    1
    1
 
    1.5737
 
    1.0000
 
    0.7331
 
    1
    1
    1
    1
 
    2.4460
 
    1.0000
 
    0.7303
 
    1
    2
    1
    1
 
    0.6010
 
    1.0000
 
BCH:6-31G-2p                                                    
Bond functions                                                  
 
    2
 
   -0.1432
 
    1
    1
    1
    1
 
    0.8016
 
    1.0000
 
    0.2990
 
    1
    1
    1
    1
 
    0.9715
 
    1.0000
 
BCH:6-31G-1s2p                                                  
Bond functions                                                  
 
    3
 
    0.9542
 
    1
    1
    1
    1
 
    1.2344
 
    1.0000
 
    0.1703
 
    1
    1
    1
    1
 
    2.0011
 
    1.0000
 
   -0.5591
 
    1
    0
    1
    1
 
    0.6944
 
    1.0000
 
BCC:6-31G-1s                                                    
Bond functions                                                  
 
    1
 
    0.5000
 
    1
    0
    1
    1
 
    1.0692
 
    1.0000
 
BCC:6-31G-2s                                                    
Bond functions                                                  
 
    2
 
    0.2874
 
    1
    0
    1
    1
 
    1.0585
 
    1.0000
 
    0.7126
 
    1
    0
    1
    1
 
    1.0585
 
    1.0000
 
BCC:6-31G-3s                                                    
Bond functions                                                  
 
    3
 
    0.5000
 
    1
    0
    1
    1
 
    1.0667
 
    1.0000
 
   -0.3216
 
    1
    0
    1
    1
 
    0.9705
 
    1.0000
 
    1.3216
 
    1
    0
    1
    1
 
    0.9705
 
    1.0000
 
BCC:6-31G-1s1p
Bond functions

    1

    0.5

    2
    0    1
    1    1
    1    1

    0.83

    1.0000

    0.70

    1.0000

BCC:6-31G-4s/3s                                                 
Bond functions                                                  
 
    4
 
    0.3168
 
    1
    0
    1
    1
 
    1.1420
 
    1.0000
 
    0.6832
 
    1
    0
    1
    1
 
    1.1420
 
    1.0000
 
   -0.3202
 
    1
    0
    1
    1
 
    0.9522
 
    1.0000
 
    1.3202
 
    1
    0
    1
    1
 
    0.9522
 
    1.0000
 
BCC:6-31G-5s/3s
Bond functions                                                  
 
    5
 
    0.5000
 
    1
    0
    1
    1
 
    1.3851
 
    1.0000
 
   -0.1375
 
    1
    0
    1
    1
 
    2.5030
 
    1.0000
 
   -0.3549
 
    1
    0
    1
    1
 
    0.7881
 
    1.0000
 
    1.1375
 
    1
    0
    1
    1
 
    2.5030
 
    1.0000
 
    1.3549
 
    1
    0
    1
    1
 
    0.7881
 
    1.0000
 
BCC:6-31G-4s                                                    
Bond functions                                                  
 
    4
 
    0.2871
 
    1
    0
    1
    1
 
    1.2031
 
    1.0000
 
    0.7129
 
    1
    0
    1
    1
 
    1.2031
 
    1.0000
 
   -0.3246
 
    1
    0
    1
    1
 
    0.9341
 
    1.0000
 
    1.3246
 
    1
    0
    1
    1
 
    0.9341
 
    1.0000