%chk=000077390.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077390

0 1
 S    2.015800      -1.600700      0.3003000    
 O    7.018900     -0.1748000      3.4800000E-02
 N   -6.530000     -0.2665000      4.6599999E-02
 N    1.576700      0.8977000     -0.1658000    
 N   -1.001400      0.6030000     -0.1111000    
 N  -0.3508000     -0.4674000      8.8100001E-02
 C   -5.137100     -4.7499999E-02  7.1999999E-03
 C    3.388800     -0.5754000      0.1093000    
 C    2.953600      0.7307000     -0.1349000    
 C   -4.449200      0.2813000       1.175300    
 C   -4.447400     -0.1598000      -1.200100    
 C    4.752700     -0.9033000      0.1706000    
 C   -2.389200      0.3846000     -7.0799999E-02
 C    5.688500      0.1166000     -2.0199999E-02
 C    3.920000       1.742500     -0.3244000    
 C   -3.071800      0.4980000       1.136200    
 C   -3.070000      5.6800000E-02  -1.239100    
 C    5.279600       1.423100     -0.2647000    
 C   -7.354100      0.4239000       1.018500    
 C   -7.157000      -1.174200     -0.8935000    
 C   0.9889000     -0.2562000      4.8900001E-02
 C    7.374200      -1.532100      0.2888000    
 H   -4.953900      0.3650000       2.133600    
 H   -4.954100     -0.4022000      -2.129900    
 H    5.014300      -1.936800      0.3639000    
 H    3.611500       2.766300     -0.5159000    
 H   -2.542900      0.7520000       2.051000    
 H   -2.540500     -2.9300001E-02  -2.184200    
 H    6.017000       2.208300     -0.4116000    
 H   -7.063600       1.476100       1.115700    
 H   -7.285500     -5.9500001E-02   1.998800    
 H   -8.408500      0.4149000      0.7206000    
 H   -6.563600      -2.085700      -1.028500    
 H   -7.297900     -0.6901000      -1.865600    
 H   -8.143600      -1.491700     -0.5377000    
 H    7.032700      -2.195700     -0.5129000    
 H    7.032200      -1.860900       1.276100    
 H    8.468000      -1.582700      0.2986000    


%chk=000077390-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077390

0 1
S 2.103314 -1.527011 -0.743702
O 7.233002 -0.138012 0.038543
N -6.720395 -0.211756 -0.068261
N 1.722895 0.821739 0.562870
N -1.118940 0.520424 0.377468
N -0.323257 -0.412842 -0.131316
C -5.340922 -0.057491 0.029545
C 3.530355 -0.569067 -0.206940
C 3.101426 0.632838 0.461289
C -4.764946 1.093456 0.666733
C -4.445094 -1.049537 -0.507494
C 4.893873 -0.880915 -0.378052
C -2.494204 0.251928 0.221673
C 5.845105 0.034776 0.132866
C 4.084236 1.529661 0.962662
C -3.376202 1.236085 0.756045
C -3.061024 -0.897733 -0.413683
C 5.441101 1.231493 0.798639
C -7.619239 0.810240 0.490389
C -7.292593 -1.396871 -0.726901
C 1.038263 -0.168205 0.009590
C 7.724684 -1.342412 -0.634759
H -5.405806 1.872155 1.087898
H -4.846882 -1.940608 -0.997952
H 5.199330 -1.798052 -0.887242
H 3.758525 2.441962 1.470174
H -2.929044 2.110905 1.239636
H -2.382116 -1.652424 -0.822926
H 6.221773 1.900126 1.172178
H -7.459547 1.797652 0.013719
H -7.474082 0.928035 1.582554
H -8.664817 0.513504 0.316392
H -7.000045 -2.332807 -0.211151
H -6.971691 -1.470943 -1.784618
H -8.391112 -1.328956 -0.710056
H 7.391689 -1.376264 -1.690380
H 7.392674 -2.259222 -0.109778
H 8.821015 -1.267548 -0.593655


