%chk=000137978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137978

0 1
 S   -2.966900       1.091600      0.9342000    
 O    1.133000     -0.9255000      -2.040400    
 N  -0.3079000     -0.1205000     -0.3809000    
 N    4.274800      -1.153300      0.6937000    
 C    1.897900     -0.9962000      0.2243000    
 C  -0.4298000       1.311800     -0.2328000    
 C   -1.429800     -0.9964000     -0.1358000    
 C   0.8956000     -0.6640000     -0.8608000    
 C    3.295400     -0.8483000     -0.3413000    
 C   -1.545600       1.945400      0.3294000    
 C   -2.651000     -0.5626000      0.3998000    
 C   0.6064000       2.147700     -0.7131000    
 C   -1.306900      -2.380500     -0.4033000    
 C   -1.587900       3.350600      0.4404000    
 C   -3.708000      -1.474300      0.6019000    
 C   0.5563000       3.539600     -0.6034000    
 C   -2.358400      -3.278600     -0.1989000    
 C    4.105300     -0.2626000       1.843600    
 C    5.635900      -1.044800      0.1648000    
 C  -0.5420000       4.143400     -1.8400000E-02
 C   -3.566400      -2.822800      0.2969000    
 H    1.710300      -2.021300      0.5635000    
 H    1.701700     -0.3190000       1.060900    
 H    3.426900      -1.547700      -1.177100    
 H    3.441600      0.1624000     -0.7457000    
 H    1.491800       1.731000      -1.187500    
 H  -0.3845000      -2.799400     -0.7992000    
 H   -2.448600       3.847700      0.8855000    
 H   -4.658900      -1.141000       1.014900    
 H    1.377600       4.143400     -0.9778000    
 H   -2.225000      -4.331100     -0.4307000    
 H    4.047700      0.7930000       1.553500    
 H    4.950800     -0.3681000       2.534800    
 H    3.227100     -0.5264000       2.440700    
 H    5.868700     -2.8000001E-02 -0.1718000    
 H    5.776400      -1.728800     -0.6796000    
 H    6.369700      -1.334100      0.9255000    
 H  -0.5922000       5.223800      7.3200002E-02
 H   -4.389200      -3.511400      0.4602000    


%chk=000137978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137978

0 1
S -2.581539 0.519054 1.771994
O 0.851979 -2.616125 0.044953
N -0.333858 -0.596829 0.067659
N 4.533911 -0.486451 0.861446
C 2.032347 -0.709016 0.973748
C -0.341236 0.846755 0.113896
C -1.604825 -1.240861 -0.207700
C 0.829824 -1.379722 0.308977
C 3.314803 -0.884375 0.125038
C -1.336066 1.517127 0.869617
C -2.749552 -0.811811 0.510540
C 0.592321 1.608565 -0.630573
C -1.734055 -2.271445 -1.168166
C -1.362789 2.927023 0.930997
C -4.007799 -1.409132 0.288496
C 0.582983 3.017329 -0.552321
C -2.988423 -2.885005 -1.375428
C 4.636724 0.970219 1.081552
C 5.758503 -1.033609 0.240714
C -0.389159 3.678107 0.235429
C -4.124024 -2.460059 -0.648460
H 2.198278 -1.253142 1.922754
H 1.842828 0.346144 1.218928
H 3.397327 -1.955365 -0.132799
H 3.210819 -0.319360 -0.841278
H 1.323129 1.090251 -1.260482
H -0.851767 -2.603548 -1.717229
H -2.143221 3.429782 1.511425
H -4.883890 -1.054178 0.840846
H 1.320502 3.596540 -1.117610
H -3.076736 -3.694449 -2.107543
H 4.696466 1.554137 0.125877
H 5.543462 1.189705 1.672734
H 3.767982 1.338654 1.652981
H 5.955864 -0.632173 -0.786345
H 5.680582 -2.132720 0.170184
H 6.632504 -0.792825 0.872260
H -0.405163 4.771522 0.290711
H -5.097136 -2.934014 -0.814622


