%chk=000155750.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155750

0 1
 S   -3.960000      -1.480800     -2.3000000E-02
 O   -4.677400      -1.667900      -1.276200    
 O   -2.920500      -2.420300      0.3728000    
 N  -0.8838000       2.111100      1.2800000E-02
 N    4.373200     -0.7817000     -0.6454000    
 C  -0.1623000     -0.2619000      0.3282000    
 C   0.3015000       1.247100      0.1872000    
 C   -2.207600      0.2994000      -1.077800    
 C   -1.044000     -0.6764000     -0.8599000    
 C   -1.694800       1.746900      -1.154300    
 C    1.447800       1.480600     -0.8745000    
 C    1.027200      -1.190700      0.4533000    
 C    2.530500      0.4674000     -0.7079000    
 C    2.246800     -0.7610000     -7.9200000E-02
 C   -3.286600      0.1408000     -6.0000003E-04
 C  -0.5609000       3.534800      4.9000001E-03
 C    3.391100      -1.533900     -3.8300000E-02
 C    1.002800      -2.465100       1.029000    
 C    3.860700      0.4335000      -1.055900    
 C   0.2530000       3.900400       1.243700    
 C    3.386400      -2.804600      0.5386000    
 C    2.163900      -3.251900       1.070500    
 C   -5.171300      -1.450500       1.281500    
 C   0.5844000       5.384600       1.270500    
 H  -0.7405000     -0.3493000       1.257800    
 H   0.7422000       1.445500       1.173500    
 H   -2.660800      6.1799999E-02  -2.049800    
 H  -0.4224000     -0.6130000      -1.767400    
 H   -1.307300      -1.730700     -0.8490000    
 H   -1.127800       1.885100      -2.083200    
 H   -2.563400       2.414600      -1.224600    
 H    1.877500       2.482200     -0.7691000    
 H    1.054700       1.396600      -1.893600    
 H   -4.113800      0.8341000     -0.1872000    
 H   -2.902000      0.3292000       1.005600    
 H  -2.0000000E-02   3.823000     -0.9049000    
 H   -1.491200       4.116900      1.7800000E-02
 H   7.9400003E-02  -2.855200       1.449100    
 H    4.495800       1.152200      -1.554300    
 H  -0.3005000       3.639700       2.154000    
 H    1.218200       3.388400       1.283900    
 H    5.331800      -1.074800     -0.7732000    
 H    4.277400      -3.421000      0.5760000    
 H    2.117700      -4.238600       1.526300    
 H   -5.918400     -0.6892000       1.049800    
 H   -5.641400      -2.434700       1.332000    
 H   -4.667400      -1.226600       2.223400    
 H    1.176500       5.670700      0.3952000    
 H  -0.3277000       5.989800       1.281500    
 H    1.163400       5.628900       2.166800    


%chk=000155750-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155750

0 1
S -3.849384 -1.493956 0.343709
O -4.249469 -2.146280 -1.105426
O -2.818324 -2.269124 1.359386
N -0.768864 2.083899 -0.074657
N 4.518520 -0.901031 -0.704760
C -0.080833 -0.294158 0.212006
C 0.418577 1.188937 0.089870
C -2.178068 0.311048 -1.136676
C -0.996260 -0.679128 -0.981450
C -1.608473 1.752001 -1.250521
C 1.536302 1.411656 -1.001790
C 1.081818 -1.268561 0.349024
C 2.640041 0.400613 -0.806467
C 2.325731 -0.850682 -0.169107
C -3.176719 0.297165 0.029199
C -0.494394 3.540063 0.027972
C 3.498683 -1.659664 -0.110250
C 1.025974 -2.550159 0.930858
C 3.996100 0.347342 -1.122778
C 0.163099 3.964771 1.357258
C 3.448380 -2.948532 0.471355
C 2.197474 -3.369461 0.981995
C -5.484942 -1.226100 1.315051
C 0.224491 5.501722 1.494967
H -0.691829 -0.353830 1.133088
H 0.878437 1.436772 1.064903
H -2.726836 0.071196 -2.067742
H -0.409418 -0.670210 -1.920915
H -1.356497 -1.714675 -0.851523
H -1.056644 1.824840 -2.220598
H -2.432354 2.490957 -1.299769
H 1.916755 2.448534 -0.929059
H 1.094703 1.309414 -2.014182
H -4.084804 0.883452 -0.195306
H -2.732491 0.596140 0.991169
H 0.130607 3.919301 -0.820786
H -1.471653 4.057942 -0.054366
H 0.081093 -2.922944 1.343920
H 4.638347 1.078874 -1.610564
H -0.415446 3.528638 2.194592
H 1.189375 3.555897 1.429509
H 5.487042 -1.191659 -0.815083
H 4.325869 -3.601723 0.532989
H 2.123986 -4.363365 1.438683
H -6.175189 -0.688993 0.649953
H -5.837011 -2.242399 1.539930
H -5.238070 -0.667269 2.228570
H 0.787978 5.955930 0.657741
H -0.789195 5.945015 1.497368
H 0.723888 5.797285 2.435107


