%chk=000036273.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036273

0 1
 S   -1.284400      -1.804100     -0.5312000    
 O   -1.045500       2.405300      0.7480000    
 O   -5.033200      0.7555000       1.357200    
 O   -4.726800       1.205800     -0.8562000    
 N   -2.065400      0.6689000     -0.4830000    
 N   0.9837000      0.1313000     -9.0599999E-02
 N    3.208800      0.4801000      0.6719000    
 C   -1.199200     -0.1587000      -1.327800    
 C   -3.029600      -1.482500      3.4600001E-02
 C   -3.028100      2.1199999E-02  0.3847000    
 C  -3.4600001E-02  0.7508000     -0.9127000    
 C   -1.075800       1.512900     -6.8899997E-02
 C   -3.975900      -1.869000      -1.110200    
 C   -3.319300      -2.341700       1.266700    
 C   -4.335000      0.7229000      0.1959000    
 C    2.089200      0.8057000     -1.6000001E-02
 C    4.388800       1.335800      0.6686000    
 C    3.355300     -0.8054000       1.346700    
 C    5.214700       1.149000     -0.6002000    
 C    4.067500      -1.820200      0.4570000    
 C    5.392600     -0.2873000      -1.103500    
 C    5.452100      -1.376400     -3.0800000E-02
 H   -1.481400     -0.1259000      -2.384000    
 H   -2.684800      0.1904000       1.414700    
 H   0.3496000       1.343400      -1.752900    
 H   -5.023100      -1.738600     -0.8137000    
 H   -3.811900      -1.264500      -2.009100    
 H   -3.856200      -2.922600      -1.390100    
 H   -4.331500      -2.151100       1.641100    
 H   -3.251300      -3.411700       1.038500    
 H   -2.623200      -2.128300       2.086200    
 H    2.186000       1.773900     -0.5400000    
 H    5.015100       1.126600       1.544800    
 H    4.094200       2.388300      0.7645000    
 H    2.377600      -1.204400       1.642900    
 H    3.915000     -0.6770000       2.281500    
 H    6.204500       1.589800     -0.4253000    
 H    4.769000       1.737800      -1.412400    
 H    3.435800      -2.063200     -0.4066000    
 H    4.183100      -2.750000       1.027500    
 H    6.319400     -0.3205000      -1.690500    
 H    4.587600     -0.5209000      -1.812100    
 H    5.936400      -2.254900     -0.4759000    
 H    6.083300      -1.065700      0.8095000    
 H   -5.895000       1.212500       1.253800    


%chk=000036273-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036273

0 1
S -1.162585 -1.692514 -0.267101
O -1.171163 2.245367 1.568924
O -5.583730 0.167067 0.998877
O -4.899545 1.258165 -0.938000
N -2.141405 0.784318 -0.117976
N 1.155165 0.448538 0.072159
N 3.445720 0.718207 0.584584
C -1.163641 0.064356 -0.979928
C -3.077741 -1.498988 0.031597
C -3.247174 0.028188 0.471517
C -0.036947 1.042507 -0.483411
C -1.136474 1.540339 0.547802
C -3.823192 -1.821532 -1.281517
C -3.486724 -2.452280 1.167868
C -4.616121 0.574804 0.063107
C 2.276067 1.133097 -0.008758
C 4.719068 1.413524 0.325185
C 3.484380 -0.509640 1.408851
C 5.478758 0.931232 -0.944509
C 4.037700 -1.747011 0.664590
C 5.358580 -0.588402 -1.245709
C 5.414085 -1.539991 -0.018157
H -1.391038 0.045779 -2.055294
H -3.178536 0.090618 1.573906
H 0.147189 1.840919 -1.241378
H -4.919900 -1.772530 -1.135024
H -3.555680 -1.121775 -2.091862
H -3.567897 -2.842884 -1.609166
H -4.550052 -2.294399 1.425920
H -3.359402 -3.504904 0.858642
H -2.878035 -2.280215 2.072485
H 2.369635 2.102119 -0.543911
H 5.354088 1.255691 1.216806
H 4.532600 2.502933 0.254111
H 2.452295 -0.707788 1.744683
H 4.114546 -0.295357 2.295903
H 6.545141 1.207122 -0.817342
H 5.114067 1.490734 -1.828656
H 3.301325 -2.062259 -0.099854
H 4.107604 -2.573290 1.400869
H 6.166011 -0.853654 -1.956145
H 4.406146 -0.778341 -1.779230
H 5.778423 -2.529440 -0.357615
H 6.159990 -1.175755 0.719435
H -6.473501 0.520624 0.725322


