%chk=000096967.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096967

0 1
 S    3.550900     -0.9643000     -3.0000001E-04
 S   -3.654000       2.117900     -4.3000001E-03
 O   -1.812700      -2.675600     -7.9999998E-04
 N   -1.005900       1.394500      2.0999999E-03
 N   -2.608800     -0.4534000     -5.0000002E-04
 N   0.9207000      -1.539600      1.2000001E-03
 N    1.344500      0.6444000      2.3000001E-03
 C  -0.2927000     -0.9130000      1.1000000E-03
 C  -8.8999998E-03  0.4230000      1.9000000E-03
 C   -1.604100      -1.465400      3.0000001E-04
 C   -2.380400      0.9857000     -6.0000003E-04
 C    1.876900     -0.5593000      1.8000000E-03
 C  -0.6136000       2.810800      2.7000001E-03
 C   -3.990100     -0.9554000     -1.7000000E-03
 C    4.385700      0.6622000     -1.6000000E-03
 C    5.892500      0.4878000     -3.5999999E-03
 H    1.085800      -2.537400      5.0000002E-04
 H   -1.011100       3.293100     -0.8957000    
 H   0.4729000       2.933200      1.3100000E-02
 H   -1.027600       3.298000      0.8908000    
 H   -4.507100     -0.5875000      0.8900000    
 H   -4.041000      -2.047100      3.9999999E-04
 H   -4.504100     -0.5909000     -0.8967000    
 H    4.074900       1.222800     -0.8890000    
 H    4.077300       1.223000      0.8864000    
 H    6.235200     -5.2800000E-02  0.8852000    
 H    6.232900     -5.3100001E-02 -0.8932000    
 H    6.381400       1.467700     -4.4999998E-03


%chk=000096967-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096967

0 1
S 3.672267 -1.076545 -0.001210
S -3.575594 2.140021 -0.001096
O -1.968085 -2.732770 -0.000674
N -0.974451 1.338663 0.000443
N -2.606886 -0.431443 0.000345
N 0.938566 -1.656220 -0.000868
N 1.394795 0.578548 -0.000430
C -0.297391 -0.994028 -0.000464
C 0.018604 0.369731 -0.000138
C -1.633984 -1.507647 -0.000308
C -2.329162 0.956065 0.000884
C 1.921824 -0.676555 -0.000764
C -0.605627 2.770351 0.000007
C -4.029529 -0.847399 0.000036
C 4.379903 0.695405 -0.000762
C 5.910058 0.605437 -0.001144
H 1.060432 -2.668840 -0.001162
H -1.023202 3.264831 -0.892483
H 0.492778 2.827896 0.002260
H -1.027415 3.266144 0.889711
H -4.537624 -0.444930 0.891562
H -4.045892 -1.947040 0.000109
H -4.537246 -0.445221 -0.891856
H 3.980904 1.195622 -0.896156
H 3.981319 1.195005 0.895164
H 6.289404 0.083281 0.894747
H 6.288987 0.083891 -0.897564
H 6.331750 1.627046 -0.000889


