%Nproc=8
%chk=chk-3.chk

#BMK/genecp freq=SaveNM

frE

0 1
 C     5.408715    -1.188925     0.019124
 C     5.114181    -2.582825     0.013751
 C     6.211061    -3.475370     0.056248
 C     7.533849    -3.027982     0.103044
 C     7.794641    -1.644106     0.108106
 C     6.715260    -0.731218     0.064813
 C     3.765338    -3.118864    -0.033502
 C     2.604712    -2.387735    -0.071863
 C     1.300295    -2.971422    -0.123666
 N     0.156614    -2.224622    -0.180027
 C    -0.936070    -3.063013    -0.260843
 C    -0.451458    -4.437775    -0.229615
 C     0.924412    -4.354572    -0.145003
 B     0.111031    -0.691897    -0.186562
 F     0.748494    -0.186901    -1.327317
 C    -2.245130    -2.542827    -0.339869
 C    -3.405545    -3.455824    -0.635933
 O    -3.964668    -3.957047     0.589855
 C    -5.027214    -4.787081     0.585867
 O    -5.446386    -5.201383     1.634483
 C    -1.248405    -5.719171    -0.215976
 O     9.023699    -1.099151     0.151613
 C    10.146274    -1.949260     0.208857
 C    -2.442248    -1.129637    -0.203268
 C    -3.658680    -0.361768    -0.101105
 C    -3.251385     0.973855    -0.042216
 C    -1.816454     1.029997    -0.081979
 N    -1.372001    -0.270439    -0.162117
 C    -5.071725    -0.879420    -0.001063
 C    -0.861025     2.098780    -0.063487
 C    -1.084069     3.453091    -0.033762
 C    -0.037338     4.461532    -0.017851
 C    -0.407722     5.835366    -0.001415
 C     0.540432     6.846879     0.014057
 C     1.915699     6.523979     0.014640
 C     2.313773     5.169992    -0.000273
 C     1.349156     4.163494    -0.016121
 O     2.765272     7.564632     0.030347
 C     4.153892     7.319499     0.032957
 C    -5.643924    -5.153258    -0.761060
 F     0.774285    -0.191468     0.942976
 H    -0.598649    -6.550513     0.083804
 H    -2.083849    -5.666589     0.494330
 H    -1.654517    -5.966270    -1.208696
 H     1.608381    -5.194329    -0.083947
 H    -4.173280    -2.914783    -1.196853
 H    -3.068646    -4.297103    -1.248830
 H    -4.913703    -5.660125    -1.405649
 H    -6.489331    -5.819437    -0.573642
 H    -5.993877    -4.257450    -1.290976
 I    -4.585472     2.572846     0.096698
 H    -5.715683    -0.131806     0.475312
 H    -5.504951    -1.094259    -0.990492
 H    -5.115072    -1.790178     0.607699
 H     0.167747     1.754154    -0.081594
 H     2.644269    -1.302113    -0.066275
 H    -1.465516     6.096292    -0.001344
 H     0.252916     7.895840     0.026382
 H     3.364591     4.895668     0.001002
 H     1.683498     3.128581    -0.026020
 H    -2.100145     3.838444    -0.023376
 H     6.019492    -4.548314     0.053004
 H     8.343093    -3.751707     0.134321
 H     6.940735     0.333247     0.069059
 H     4.598677    -0.463726    -0.012993
 H     3.698081    -4.208360    -0.038295
 H     4.632611     8.302169     0.045668
 H     4.452831     6.752471     0.926766
 H     4.459793     6.772703    -0.871008
 H    11.020013    -1.293693     0.252369
 H    10.116523    -2.582113     1.108175
 H    10.207677    -2.584495    -0.687166

H C N O F B
6-31+g*
****
I     0
S    8   1.00
      2.449790D+03           4.190000D-04
      3.598080D+02           2.240000D-03
      1.440580D+01           3.972230D-01
      9.076320D+00          -9.322490D-01
      2.088100D+00           9.371380D-01
      1.034980D+00           3.920860D-01
      3.162840D-01           1.248500D-02
      1.217190D-01          -1.329000D-03
S    8   1.00
      2.449790D+03           1.750000D-04
      3.598080D+02           1.057000D-03
      1.440580D+01           1.690000D-01
      9.076320D+00          -4.217930D-01
      2.088100D+00           6.388640D-01
      1.034980D+00           3.201150D-01
      3.162840D-01          -8.144280D-01
      1.217190D-01          -4.897980D-01
S    1   1.00
      3.162840D-01           1.000000D+00
S    1   1.00
      1.217190D-01           1.000000D+00
S    1   1.00
      4.200000D-02           1.0000000
P    6   1.00
      1.953010D+01           5.893400D-02
      1.108820D+01          -2.309300D-01
      2.715630D+00           6.648010D-01
      1.204300D+00           4.506730D-01
      3.399450D-01           2.898000D-02
      1.108810D-01          -2.889000D-03
P    6   1.00
      1.953010D+01          -1.883600D-02
      1.108820D+01           8.000600D-02
      2.715630D+00          -3.066520D-01
      1.204300D+00          -1.475940D-01
      3.399450D-01           6.075060D-01
      1.108810D-01           5.470490D-01
P    1   1.00
      1.108810D-01           1.000000D+00
P    1   1.00
      3.380000D-02           1.0000000
D    6   1.00
      4.547650D+01           4.266000D-03
      1.319280D+01          -1.362500D-02
      4.227410D+00           3.097560D-01
      1.942800D+00           5.097720D-01
      8.397710D-01           2.974610D-01
      3.000000D-01           4.016400D-02
D    1   1.00
      3.000000D-01           1.000000D+00
D    1   1.00
      1.191000D-01           1.0000000
****

I     0
I-ECP     4     28
g potential
  1
2      1.00000000             0.00000000
s-g potential
  3
2     40.03337600            49.98964900
2     17.30057600           281.00655600
2      8.85172000            61.41673900
p-g potential
  4
2     15.72014100            67.41623900
2     15.20822200           134.80769600
2      8.29418600            14.56654800
2      7.75394900            28.96842200
d-g potential
  4
2     13.81775100            35.53875600
2     13.58780500            53.33975900
2      6.94763000             9.71646600
2      6.96009900            14.97750000
f-g potential
  4
2     18.52295000           -20.17661800
2     18.25103500           -26.08807700
2      7.55790100            -0.22043400
2      7.59740400            -0.22164600



