%chk=000083045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083045

0 1
 S   -3.579300      0.5292000       1.086300    
 O   0.6917000     -0.3829000      -2.177300    
 N    3.936400     -0.2692000      0.4415000    
 N  -0.8006000     -2.6600000E-02 -0.4097000    
 C    2.873500     -5.8600001E-02 -0.5329000    
 C    1.553800     -0.5217000      4.9100000E-02
 C   0.4611000     -0.2842000     -0.9718000    
 C    5.225000      0.1708000     -9.6900001E-02
 C    4.005600      -1.678200      0.8338000    
 C   -1.180400       1.336000     -0.1144000    
 C   -1.728100      -1.118600     -0.2271000    
 C   -2.369300       1.690400      0.5364000    
 C   -2.984300     -0.9769000      0.3797000    
 C    5.176900       1.631800     -0.5112000    
 C    5.065800      -1.900000       1.899300    
 C  -0.3398000       2.394900     -0.5329000    
 C   -1.361300      -2.422500     -0.6363000    
 C   -2.667700       3.045200      0.7902000    
 C   -3.843400      -2.087400      0.5143000    
 C  -0.6434000       3.735300     -0.2816000    
 C   -2.217300      -3.518800     -0.4981000    
 C   -1.808600       4.061700      0.3885000    
 C   -3.466500      -3.349400      7.0900001E-02
 H    3.093600     -0.5858000      -1.470800    
 H    2.759000       1.003200     -0.7753000    
 H    1.510800      -1.598100      0.2372000    
 H    1.321300      5.2999998E-03  0.9816000    
 H    6.004900      0.1065000      0.6689000    
 H    5.544500     -0.4427000     -0.9488000    
 H    3.081500      -2.006800       1.315900    
 H    4.191100      -2.337800     -2.3100000E-02
 H    4.631300       1.784200      -1.447700    
 H    4.734200       2.262100      0.2679000    
 H    6.196000       1.996600     -0.6837000    
 H    6.081200      -1.864800       1.492800    
 H    4.982500      -1.172300       2.713900    
 H    4.942400      -2.896400       2.339000    
 H   0.5857000       2.200800      -1.069800    
 H  -0.3958000      -2.619800      -1.096500    
 H   -3.585800       3.325600       1.304400    
 H   -4.820900      -1.981200      0.9823000    
 H   3.4000002E-02   4.516500     -0.6132000    
 H   -1.900700      -4.500200     -0.8388000    
 H   -2.055000       5.099300      0.5901000    
 H   -4.139000      -4.193900      0.1838000    


%chk=000083045-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083045

0 1
S -2.440633 -1.039902 1.962773
O 0.673739 -1.553217 -1.806676
N 4.149572 -0.184742 0.258126
N -0.780677 -0.303618 -0.467380
C 2.946455 -0.895031 -0.243778
C 1.718042 0.045217 -0.285393
C 0.519352 -0.656108 -0.928992
C 5.412937 -0.706114 -0.332595
C 4.193536 -0.114712 1.744824
C -1.031456 0.821844 0.402602
C -1.924786 -1.126345 -0.810644
C -1.797604 0.635102 1.581424
C -2.799028 -1.537575 0.226514
C 5.626006 -0.248697 -1.788138
C 5.017499 1.077156 2.269108
C -0.582155 2.123136 0.070427
C -2.193085 -1.520682 -2.142210
C -2.059857 1.718066 2.447758
C -3.924031 -2.341307 -0.053110
C -0.823623 3.203541 0.945088
C -3.305673 -2.343409 -2.420793
C -1.554320 3.000712 2.139590
C -4.169828 -2.756763 -1.380717
H 2.706100 -1.798639 0.367625
H 3.132287 -1.256281 -1.268208
H 1.466298 0.418283 0.722154
H 2.004790 0.929321 -0.886576
H 6.251708 -0.327913 0.279786
H 5.458522 -1.823402 -0.275998
H 3.154740 -0.009049 2.109628
H 4.583485 -1.068121 2.184589
H 4.821778 -0.608933 -2.454769
H 5.643364 0.854032 -1.839823
H 6.584358 -0.638306 -2.180118
H 6.074399 1.020176 1.951310
H 4.599638 2.024727 1.886743
H 5.002030 1.101767 3.374970
H -0.043272 2.279106 -0.869425
H -1.515412 -1.207682 -2.938279
H -2.661401 1.558821 3.348625
H -4.598419 -2.635273 0.757680
H -0.455553 4.201889 0.687059
H -3.497210 -2.659066 -3.451631
H -1.750172 3.838876 2.816347
H -5.035838 -3.390284 -1.599599


