%chk=000067271.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067271

0 1
 S  -0.6768000       2.457200       2.501400    
 S   0.4400000      0.8060000       3.008000    
 O   -1.626700       1.154300      -2.661800    
 O    1.647200      -2.875600     -0.7752000    
 N   -1.440800       1.537200     -0.3543000    
 N    1.394200      -1.182900      0.8356000    
 C  -0.3607000       2.450000     -0.2731000    
 C   7.0900001E-02  -1.340400       1.261100    
 C   7.6300003E-02   2.935100      0.9492000    
 C  -0.4870000     -0.5084000       2.236800    
 C   0.2431000       2.839000      -1.459200    
 C  -0.6919000      -2.356200      0.6849000    
 C   -3.134200      6.5700002E-02  -1.264000    
 C    3.500200      -1.538800     -0.3389000    
 C    1.144100       3.831900      0.9873000    
 C   -1.814300     -0.7018000       2.630500    
 C   -2.005200      0.9521000      -1.496600    
 C    2.083000      -1.932400     -0.1239000    
 C    1.310800       3.735900      -1.421000    
 C   -2.015900      -2.544800       1.081600    
 C    1.761200       4.232400     -0.1979000    
 C   -2.577000      -1.717700       2.054400    
 C   -3.407800     -0.9656000      -2.162600    
 C    4.393000      -2.488300     -0.7897000    
 C   -3.943200      0.2461000     -0.1421000    
 C    3.875600     -0.2372000     -8.0899999E-02
 C   -4.490600      -1.816200      -1.939500    
 C    5.722900      -2.119000     -0.9917000    
 C   -5.025900     -0.6047000      8.1000000E-02
 C    5.205600      0.1320000     -0.2831000    
 C   -5.299500      -1.635800     -0.8177000    
 C    6.129100     -0.8090000     -0.7384000    
 H   -1.814000       1.280000      0.5542000    
 H    1.894200     -0.4557000       1.338400    
 H  -3.3100002E-02   2.509900      -2.448100    
 H  -0.3459000      -3.043200     -7.2200000E-02
 H    1.512000       4.231700       1.929300    
 H   -2.275400     -8.3499998E-02   3.397000    
 H    1.793000       4.048300      -2.342800    
 H   -2.609300      -3.339100      0.6380000    
 H    2.592900       4.930200     -0.1685000    
 H   -3.600800      -1.877300       2.379100    
 H   -2.786400      -1.127600      -3.039500    
 H    4.095700      -3.514000     -0.9863000    
 H   -3.796300       1.059300      0.5623000    
 H    3.184600      0.5387000      0.2314000    
 H   -4.702900      -2.620100      -2.638200    
 H    6.442500      -2.851800      -1.345400    
 H   -5.662300     -0.4586000      0.9490000    
 H    5.520300       1.154600     -9.5799997E-02
 H   -6.143400      -2.297100     -0.6446000    
 H    7.164100     -0.5209000     -0.8979000    


%chk=000067271-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000067271

0 1
S -0.685275 2.619286 2.366047
S 0.298526 0.666824 3.359215
O -0.564982 0.851644 -2.718320
O 0.843071 -2.885425 -0.653452
N -0.853843 1.539855 -0.489532
N 0.789341 -1.212252 0.993539
C 0.185996 2.476422 -0.338945
C -0.412058 -1.509157 1.666796
C 0.408895 3.034011 0.969705
C -0.778230 -0.690809 2.793663
C 1.020708 2.892764 -1.414265
C -1.267226 -2.583952 1.294350
C -2.408249 -0.092998 -1.451903
C 2.678128 -1.298466 -0.577009
C 1.449507 3.975059 1.172738
C -1.965549 -0.968970 3.516922
C -1.209365 0.799319 -1.626299
C 1.365815 -1.867181 -0.102369
C 2.043299 3.834623 -1.186455
C -2.444094 -2.833880 2.025809
C 2.267914 4.382959 0.100574
C -2.802401 -2.037364 3.141070
C -2.517811 -1.206304 -2.324230
C 3.439748 -2.105379 -1.462246
C -3.429851 0.145446 -0.494398
C 3.175674 -0.020661 -0.205237
C -3.619174 -2.080091 -2.228484
C 4.681824 -1.655993 -1.952518
C -4.535527 -0.727088 -0.405076
C 4.418111 0.429583 -0.700388
C -4.630477 -1.844363 -1.266540
C 5.177514 -0.387002 -1.569490
H -1.381930 1.366769 0.376574
H 1.311290 -0.432635 1.414362
H 0.857120 2.456686 -2.401050
H -0.987922 -3.199092 0.437619
H 1.597197 4.381879 2.178138
H -2.213622 -0.336921 4.375517
H 2.674405 4.141440 -2.028010
H -3.089785 -3.663447 1.717135
H 3.063419 5.116994 0.263705
H -3.714987 -2.247717 3.707813
H -1.728146 -1.365259 -3.065224
H 3.029044 -3.078032 -1.751514
H -3.397051 1.023412 0.162637
H 2.603630 0.656910 0.440211
H -3.690063 -2.942571 -2.899888
H 5.261939 -2.290136 -2.631574
H -5.322896 -0.531496 0.330849
H 4.785395 1.421264 -0.415073
H -5.490325 -2.519974 -1.195465
H 6.142527 -0.034636 -1.950435


