%chk=000102318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102318

0 1
 S   -1.198300       1.071700      0.4129000    
 O    4.159000       1.085200      0.3924000    
 O   0.3889000      -2.106900     -0.9459000    
 N    4.924800     -0.9113000     -0.4577000    
 N   -3.635200      6.7500003E-02 -1.4000000E-03
 N   -1.738400      -1.263200     -0.5754000    
 C    6.017300     -0.1222000     -0.1299000    
 C    3.791800     -0.1750000     -0.1401000    
 C    5.056100      -2.231700      -1.021000    
 C    5.542600       1.091800      0.3875000    
 C    7.375000     -0.3431000     -0.2314000    
 C    2.498500     -0.4915000     -0.2684000    
 C    6.367900       2.107800      0.8132000    
 C    5.135900      -3.265900      8.5400000E-02
 C    8.239800      0.6730000      0.1944000    
 C    7.741200       1.885200      0.7110000    
 C    1.424000      0.3935000      0.1120000    
 C   -2.301700     -0.1880000     -0.1164000    
 C   -4.537300      -1.032800      0.2210000    
 C   -4.094300       1.428400     -0.1068000    
 C   0.1304000      7.7500001E-02 -1.6100001E-02
 C  -0.3563000      -1.215300     -0.5624000    
 C   -5.828000     -0.9466000     -0.2609000    
 C   -4.178500       2.195400       1.037800    
 C   -4.083300      -2.139600      0.9097000    
 C   -4.436300       1.923400      -1.349000    
 C   -6.701700      -2.012100     -4.4700000E-02
 C   -4.623700       3.513400      0.9357000    
 C   -4.957200      -3.205100       1.125700    
 C   -4.881400       3.241500      -1.451000    
 C   -6.266400      -3.141300      0.6485000    
 C   -4.975100       4.036400     -0.3086000    
 H    4.196200      -2.458900      -1.662200    
 H    5.935200      -2.306800      -1.671700    
 H    7.780400      -1.269300     -0.6227000    
 H    2.324100      -1.471100     -0.6778000    
 H    5.976000       3.036600       1.209100    
 H    6.006600      -3.098100      0.7277000    
 H    4.243000      -3.238500      0.7190000    
 H    5.218200      -4.271000     -0.3402000    
 H    9.314700      0.5251000      0.1265000    
 H    8.437500       2.654900       1.033400    
 H    1.688800       1.364900      0.5230000    
 H   -6.202000     -9.0499997E-02 -0.8109000    
 H   -3.918400       1.793700       2.013000    
 H   -3.088500      -2.208600       1.337900    
 H   -4.362300       1.311800      -2.243500    
 H   -7.720800      -1.963600     -0.4173000    
 H   -4.699300       4.131500       1.825500    
 H   -4.622000      -4.080200       1.674900    
 H   -5.154300       3.649000      -2.420100    
 H   -6.947300      -3.970100      0.8186000    
 H   -5.322100       5.062400     -0.3881000    


%chk=000102318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102318

0 1
S -1.172101 1.139401 -0.023126
O 4.351102 1.233857 -0.149362
O 0.448807 -2.492142 -0.184588
N 5.135211 -0.909015 -0.287092
N -3.673891 -0.111112 -0.001922
N -1.717614 -1.532437 -0.101414
C 6.262885 -0.062836 -0.248498
C 3.967600 -0.135995 -0.207546
C 5.151911 -2.381735 -0.327614
C 5.772386 1.265457 -0.173934
C 7.646573 -0.312624 -0.279861
C 2.653304 -0.558068 -0.186972
C 6.598682 2.386717 -0.133235
C 5.069074 -3.021435 1.074277
C 8.506315 0.816540 -0.240136
C 7.998648 2.137010 -0.168981
C 1.540740 0.341842 -0.125382
C -2.312173 -0.357781 -0.045723
C -4.707361 -1.127518 -0.012360
C -4.089594 1.288022 0.069986
C 0.214325 -0.059559 -0.101273
C -0.293435 -1.461565 -0.134353
C -6.068892 -0.712767 0.021273
C -4.265637 1.897577 1.332196
C -4.407176 -2.517310 -0.054400
C -4.315479 2.012471 -1.121633
C -7.103861 -1.670256 0.013473
C -4.667991 3.250009 1.401433
C -5.457451 -3.459197 -0.060978
C -4.717429 3.364960 -1.046715
C -6.809786 -3.051674 -0.027320
C -4.894440 3.983900 0.213138
H 4.306004 -2.716549 -0.954165
H 6.078919 -2.689103 -0.843765
H 8.051736 -1.327543 -0.329358
H 2.434043 -1.629153 -0.215801
H 6.189688 3.398501 -0.076975
H 5.918597 -2.708988 1.706639
H 4.131759 -2.736920 1.581936
H 5.087610 -4.122146 0.985123
H 9.589721 0.659491 -0.262714
H 8.692662 2.982712 -0.138794
H 1.769179 1.415246 -0.095261
H -6.325779 0.349035 0.053263
H -4.084474 1.314406 2.240827
H -3.363257 -2.834192 -0.082368
H -4.172813 1.517584 -2.087653
H -8.144631 -1.328255 0.039418
H -4.801203 3.728270 2.377628
H -5.206022 -4.525355 -0.093264
H -4.889357 3.932557 -1.967438
H -7.616828 -3.792080 -0.032875
H -5.205011 5.033046 0.268438


