%chk=000040832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040832

0 1
 S   -2.477200       1.278500      0.8937000    
 O   0.3523000      -2.302400       1.594700    
 O   -2.747900       2.654700      0.4924000    
 O   -2.738500      0.8656000       2.267100    
 N    3.413900      0.1641000     -0.3328000    
 N    1.520400      -1.801900       1.045700    
 N  -0.6883000      -1.393400       1.509800    
 C    3.889500      -1.195800     -0.6118000    
 C    4.390200       1.088000      0.2621000    
 C    5.168800      -1.156900      -1.446400    
 C    5.666100       1.132400     -0.5758000    
 C    6.227700     -0.2649000     -0.8102000    
 C    2.062400      0.3724000     -3.1800002E-02
 C    1.222700     -0.5713000      0.6103000    
 C    1.398800       1.581500     -0.3524000    
 C  -0.8084000      0.9029000      0.5717000    
 C  -0.1813000     -0.3116000      0.9053000    
 C   3.1599998E-02   1.834400     -6.5200001E-02
 C   -3.497000      0.2873000     -0.1674000    
 C   -3.914200     -0.9529000      0.2737000    
 C   -3.847500      0.7794000      -1.408900    
 C   -4.714600      -1.732900     -0.5609000    
 C   -4.648000     -5.0000002E-04  -2.243600    
 C   -5.081500      -1.256700      -1.819500    
 H    3.140700      -1.764200      -1.176900    
 H    4.087900      -1.723700      0.3287000    
 H    4.621300      0.7597000       1.283300    
 H    3.993900       2.107400      0.3339000    
 H    4.936200     -0.7794000      -2.450200    
 H    5.561700      -2.172400      -1.568700    
 H    6.415900       1.755200     -7.5199999E-02
 H    5.450600       1.602800      -1.543500    
 H    6.555600     -0.6985000      0.1422000    
 H    7.107300     -0.2086000      -1.460800    
 H    1.954000       2.370100     -0.8615000    
 H  -0.3628000       2.803500     -0.3674000    
 H   -3.639900      -1.341400       1.249100    
 H   -3.512200       1.749400      -1.762000    
 H   -5.052000      -2.711100     -0.2309000    
 H   -4.931700      0.3689000      -3.224700    
 H   -5.704100      -1.864400      -2.469600    


%chk=000040832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040832

0 1
S -2.487047 1.250625 0.971299
O 0.269924 -2.617416 1.438632
O -2.570691 2.832531 0.540838
O -2.983433 0.732261 2.436666
N 3.590400 0.142974 0.478294
N 1.551132 -2.037039 1.147962
N -0.795690 -1.642806 1.341130
C 4.253644 -1.181603 0.343871
C 4.536269 1.250398 0.198078
C 4.788138 -1.362840 -1.100826
C 5.049754 1.174794 -1.261384
C 5.723427 -0.198387 -1.508683
C 2.220687 0.339936 0.516898
C 1.289205 -0.732411 0.873390
C 1.606546 1.594984 0.259687
C -0.676826 0.805769 0.743729
C -0.154122 -0.490721 0.996983
C 0.206150 1.817739 0.382518
C -3.419948 0.264032 -0.355908
C -3.789883 -1.058258 -0.062732
C -3.749855 0.933052 -1.544790
C -4.519852 -1.761122 -1.050010
C -4.482179 0.212398 -2.516956
C -4.860206 -1.129135 -2.269813
H 3.556507 -1.986131 0.615521
H 5.099979 -1.207826 1.059913
H 5.394649 1.126448 0.888851
H 4.077266 2.222947 0.427782
H 3.928098 -1.421113 -1.796326
H 5.323635 -2.329103 -1.163433
H 5.766406 1.998109 -1.442680
H 4.200345 1.315343 -1.957852
H 6.656324 -0.253667 -0.910206
H 6.018206 -0.296525 -2.569761
H 2.216148 2.442725 -0.057545
H -0.210642 2.813270 0.186833
H -3.523255 -1.514231 0.895721
H -3.460802 1.979980 -1.685210
H -4.823599 -2.796061 -0.861780
H -4.762276 0.699445 -3.456935
H -5.430131 -1.680068 -3.026165


