%chk=000123891.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123891

0 1
 S   -1.143600       1.724500      0.7364000    
 S    3.619900       2.438700      -1.481400    
 O   -2.521500      -2.642500     -6.6000000E-02
 O   -4.320900     -0.6402000      -2.150400    
 O   -5.798800     -0.8952000     -0.4238000    
 O    1.701300      -1.044200       2.405500    
 O    4.210600      -1.786700      -1.082400    
 N   -2.767400     -0.3587000      0.4673000    
 N   0.2288000      -1.014800      0.5777000    
 N    3.146800      -2.045700     -0.2069000    
 N    4.190700      0.8996000      0.5155000    
 N    5.490400       2.868500      0.3592000    
 C   -1.867800      0.2274000       1.444000    
 C   -1.035300      -1.066700       1.311400    
 C   -2.225900      -1.596100      0.4621000    
 C   -3.777900      0.3220000     -0.1322000    
 C   -2.760400       2.547800      0.5403000    
 C   -3.844500       1.673900     -8.6599998E-02
 C   -4.975600       2.496100     -0.6564000    
 C   -4.759800     -0.4702000     -0.8876000    
 C    1.460200      -1.009400       1.209600    
 C    2.616600     -0.9495000      0.2453000    
 C    3.173500      0.3324000     -0.1985000    
 C    2.718900      0.9907000      -1.301200    
 C    4.513000       2.029200     -7.4500002E-02
 C    4.728800      -3.031000      -1.526500    
 H   -2.332100      0.3576000       2.428800    
 H  -0.9368000      -1.616200       2.256000    
 H   -2.581900       3.425100     -9.0599999E-02
 H   -3.100400       2.903400       1.519100    
 H   0.2197000     -0.9755000     -0.4391000    
 H   -5.788900       1.886600      -1.059400    
 H   -4.608200       3.134500      -1.466500    
 H   -5.404500       3.134900      0.1229000    
 H   -4.948300      -1.165200      -2.691800    
 H    1.934200      0.7189000      -1.993200    
 H    5.707600       3.732400     -0.1267000    
 H    6.041900       2.664500       1.186100    
 H    5.101500      -3.612900     -0.6779000    
 H    5.559200      -2.836100      -2.210200    
 H    3.958300      -3.595100      -2.061400    


%chk=000123891-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123891

0 1
S -1.643620 1.467533 -1.436897
S 6.128976 1.700260 2.336159
O -1.932887 -1.925221 1.486879
O -5.947744 -1.654479 -0.059292
O -5.011784 -1.145561 2.002759
O 1.608787 1.320805 2.228294
O 3.632533 -1.019132 -1.440574
N -2.900281 0.162979 0.657511
N 0.412891 0.182035 0.594010
N 2.547905 -0.537916 -0.651426
N 5.338010 0.426798 0.101741
N 7.697865 0.810883 0.169852
C -1.956973 1.269199 0.422941
C -0.859494 0.444553 1.204128
C -1.918031 -0.719535 1.205215
C -4.149512 -0.027848 0.018414
C -3.500419 1.643663 -1.799226
C -4.464705 0.673348 -1.125665
C -5.809895 0.631219 -1.822922
C -5.047463 -0.961449 0.765983
C 1.596383 0.628349 1.163481
C 2.856117 0.216111 0.402732
C 4.176146 0.658357 0.877455
C 4.394399 1.321035 2.088581
C 6.424460 0.888190 0.682490
C 3.066946 -1.846037 -2.530939
H -2.266695 2.237549 0.843190
H -0.677232 0.867066 2.207765
H -3.581802 1.531191 -2.895394
H -3.789653 2.684063 -1.556482
H 0.502484 -0.384021 -0.257776
H -6.610052 0.229722 -1.186952
H -5.753002 -0.014176 -2.721410
H -6.092345 1.644853 -2.167092
H -6.485696 -2.263460 0.516986
H 3.647106 1.610217 2.821779
H 8.500526 1.185723 0.664844
H 7.823850 0.352876 -0.729883
H 2.514476 -2.707216 -2.116791
H 3.947611 -2.186258 -3.097273
H 2.403215 -1.239468 -3.171195


