%chk=000178434.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178434

0 1
 S   -1.427400      -2.487600      0.2262000    
 O   -2.233200       1.870000      0.1706000    
 O    1.256900       1.556800       2.068900    
 N   -3.009100     -0.2566000      7.7799998E-02
 N   0.3261000       1.151400     -1.5400000E-02
 N   -4.092800      -2.227900      3.5300002E-02
 N    5.109300      -3.026000     -1.8200001E-02
 C  -0.5757000      0.1007000      0.4068000    
 C  -0.2933000      -1.191800     -0.3690000    
 C   -1.963400      0.6764000      0.1788000    
 C    1.142500      -1.679300     -0.2757000    
 C   -2.925700      -1.635000      0.1061000    
 C   -4.367400      2.9400000E-02 -6.3100003E-02
 C   -5.001300      -1.213400     -7.7600002E-02
 C    1.897800      -1.839000      -1.435400    
 C    1.699100      -1.965200      0.9691000    
 C   -5.096500       1.223900     -0.1716000    
 C    1.175600       1.796300      0.8670000    
 C    3.775900      -2.573800     -0.1049000    
 C    3.216100      -2.286900      -1.349900    
 C    3.017400      -2.412900       1.054600    
 C   -6.400400      -1.287100     -0.1999000    
 C   -6.487800       1.133400     -0.2943000    
 C   -7.131600     -0.1014000     -0.3076000    
 C    2.019600       2.870100      0.2822000    
 C    5.519400      -3.897700       1.064600    
 C    6.089500      -2.613400      -1.002800    
 C    2.444000       3.900600       1.094800    
 C    2.351300       2.802300      -1.054900    
 C    3.236100       4.909100      0.5456000    
 C    3.143400       3.810500      -1.604300    
 C    3.585700       4.863900     -0.8039000    
 H  -0.4687000     -5.2499998E-02   1.488300    
 H  -0.5379000      -1.028500      -1.427600    
 H   0.2456000       1.460700     -0.9784000    
 H    1.474800      -1.620900      -2.412100    
 H    1.129700      -1.840700       1.886000    
 H   -4.619600       2.197100     -0.1637000    
 H    3.775400      -2.412300      -2.272600    
 H    3.426800      -2.614400       2.040400    
 H   -6.907800      -2.246700     -0.2126000    
 H   -7.075000       2.044400     -0.3800000    
 H   -8.213200     -0.1446000     -0.4035000    
 H    5.693700      -3.323400       1.980500    
 H    4.769600      -4.672000       1.262800    
 H    6.451900      -4.418900      0.8203000    
 H    5.992800      -1.548600      -1.243300    
 H    5.987000      -3.199800      -1.921900    
 H    7.109800      -2.760500     -0.6310000    
 H    2.176300       3.953300       2.145900    
 H    2.059300       1.982300      -1.702600    
 H    3.579900       5.729800       1.168400    
 H    3.423200       3.771500      -2.653000    
 H    4.203900       5.648000      -1.231200    


%chk=000178434-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178434

0 1
S -1.391861 -2.500037 0.481225
O -2.245900 1.843787 -0.590236
O 1.191859 1.311260 2.070340
N -3.065407 -0.269316 -0.069694
N 0.334546 1.259132 -0.094596
N -4.151699 -2.270142 0.320983
N 5.159226 -3.143655 -0.191235
C -0.611487 0.196761 0.228854
C -0.271476 -1.178657 -0.430380
C -2.024855 0.672199 -0.179806
C 1.154146 -1.646298 -0.347507
C -2.968453 -1.674656 0.249242
C -4.463765 -0.003966 -0.221357
C -5.109717 -1.251419 0.049336
C 1.756091 -2.255970 -1.478659
C 1.925393 -1.553788 0.841829
C -5.178914 1.163342 -0.541415
C 1.171117 1.783996 0.888642
C 3.852701 -2.654661 -0.245384
C 3.071509 -2.748101 -1.442582
C 3.240304 -2.040676 0.896316
C -6.513867 -1.349900 0.008778
C -6.589790 1.048691 -0.577640
C -7.245908 -0.182822 -0.308388
C 2.035304 2.941290 0.474564
C 5.936113 -3.034172 1.050936
C 5.756190 -3.779329 -1.372591
C 2.529105 3.792567 1.495854
C 2.389641 3.194039 -0.876671
C 3.343045 4.896628 1.170030
C 3.209167 4.297232 -1.200657
C 3.681424 5.154852 -0.179968
H -0.577632 0.070668 1.332504
H -0.617325 -1.199294 -1.479788
H 0.122168 1.833648 -0.914139
H 1.181220 -2.350362 -2.409109
H 1.505615 -1.077523 1.734476
H -4.668476 2.104827 -0.750373
H 3.488980 -3.206610 -2.342968
H 3.795873 -1.938706 1.832207
H -7.006641 -2.303647 0.217320
H -7.187980 1.933471 -0.820756
H -8.339623 -0.227025 -0.348173
H 6.064705 -1.978212 1.363199
H 5.455568 -3.581273 1.887381
H 6.937571 -3.465044 0.895276
H 5.815758 -3.079996 -2.231683
H 5.179254 -4.669361 -1.696965
H 6.779618 -4.108471 -1.133828
H 2.263354 3.565762 2.533449
H 2.066281 2.513229 -1.672704
H 3.713895 5.554626 1.963387
H 3.486462 4.482272 -2.244138
H 4.315172 6.011908 -0.433736


