%chk=000090110.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090110

0 1
 S    5.284600     -5.3900000E-02  -1.141000    
 S    6.981900     -3.4499999E-02  8.6300001E-02
 O    8.231000     -0.1028000     -0.9586000    
 O    7.023900       1.255100      0.7485000    
 O    6.975300      -1.264300      0.8548000    
 N    1.507500      8.1600003E-02  0.3341000    
 C  -0.9131000      0.1204000      0.7155000    
 C   -2.289700      7.1800001E-02  4.8900001E-02
 C   0.2058000      4.2800002E-02 -0.3217000    
 C   -3.411700      0.1135000       1.088800    
 C   -4.771800      3.0500000E-02  0.4445000    
 C    2.584200      1.8999999E-02 -0.6442000    
 C    3.931100      2.3300000E-02  6.7800000E-02
 C   -5.420100       1.197700      6.8200000E-02
 C   -5.353500      -1.211500      0.2375000    
 C   -6.678600       1.121000     -0.5283000    
 C   -6.612100      -1.288100     -0.3591000    
 C   -7.274500     -0.1217000     -0.7420000    
 H  -0.8218000     -0.7140000       1.422600    
 H  -0.8200000       1.047100       1.295700    
 H   -2.373000     -0.8434000     -0.5511000    
 H   -2.392200      0.9152000     -0.6458000    
 H   0.1102000      0.8866000      -1.015700    
 H   0.1009000     -0.8828000     -0.9008000    
 H   -3.295200     -0.7114000       1.803600    
 H   -3.341000       1.033900       1.682800    
 H    1.586600     -0.6978000      0.9868000    
 H    2.487600     -0.8923000      -1.248100    
 H    2.519200      0.8826000      -1.317900    
 H    4.047700      0.9337000      0.6657000    
 H    4.015700     -0.8374000      0.7400000    
 H   -4.963400       2.170200      0.2285000    
 H   -4.844800      -2.125600      0.5303000    
 H   -7.194300       2.029000     -0.8270000    
 H   -7.076000      -2.255700     -0.5262000    
 H   -8.254300     -0.1814000      -1.206800    
 H    8.239200     -0.8873000      -1.555700    


%chk=000090110-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090110

0 1
S 5.629578 -0.927837 -1.047640
S 6.028765 1.450650 -0.375024
O 7.835817 1.402658 0.030465
O 5.954230 2.508539 -1.580231
O 5.185441 1.689428 0.994307
N 1.636480 -0.959344 0.072815
C -0.777706 -0.626699 0.583268
C -2.160835 -0.226554 0.025112
C 0.334659 -0.540231 -0.479877
C -3.280059 -0.289887 1.101224
C -4.645938 0.081735 0.541553
C 2.811877 -0.819900 -0.799881
C 4.087033 -1.099279 0.007805
C -5.033824 1.441620 0.418233
C -5.544767 -0.918541 0.089621
C -6.282200 1.793177 -0.142341
C -6.795281 -0.572928 -0.471881
C -7.168221 0.785763 -0.590839
H -0.831272 -1.663976 0.978659
H -0.505965 0.024733 1.436424
H -2.434444 -0.890111 -0.819871
H -2.115542 0.801481 -0.387043
H 0.436590 0.505971 -0.829732
H 0.041949 -1.147025 -1.373025
H -3.309480 -1.313714 1.523677
H -3.008481 0.391941 1.931410
H 1.594064 -1.856913 0.573500
H 2.785949 -1.489462 -1.695830
H 2.838113 0.218411 -1.180913
H 4.173501 -0.405520 0.868533
H 4.111799 -2.134241 0.399491
H -4.355022 2.229040 0.770403
H -5.264022 -1.975357 0.183760
H -6.566199 2.848555 -0.225381
H -7.478338 -1.360147 -0.811257
H -8.138190 1.056288 -1.022967
H 7.941240 0.856774 0.864374


