%chk=000148794.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148794

0 1
 S   -5.076400      -1.329400      3.6100000E-02
 O   -6.221900      -1.621400     -0.8055000    
 O   -5.160900      -1.544400       1.467900    
 N    1.405200     -0.6468000       1.263200    
 N    4.784300      0.8876000     -0.6850000    
 N   -3.692600      -2.133900     -0.6009000    
 C    2.551200     -0.1265000      0.6026000    
 C    3.510200      -1.002700      8.4399998E-02
 C    2.709800       1.257300      0.4762000    
 C    4.626600     -0.4444000     -0.5606000    
 C    3.857500       1.727200     -0.1842000    
 C   0.1360000      -1.016500      0.7992000    
 C    3.376200      -2.397600      0.1970000    
 C    1.761700       2.160900      0.9872000    
 C   -2.399400      -1.757200     -0.1279000    
 C    5.585000      -1.311600      -1.078700    
 C    4.021100       3.103900     -0.3132000    
 C  -0.8250000      -1.511800       1.688100    
 C  -0.1837000     -0.8953000     -0.5581000    
 C   -2.088400      -1.881000       1.226200    
 C   -1.447100      -1.264200      -1.020000    
 C    4.348500      -3.242700     -0.3295000    
 C    1.948900       3.532500      0.8450000    
 C    5.455100      -2.698200     -0.9686000    
 C    3.081100       4.004700      0.1934000    
 C   -4.663900      0.3709000     -0.2315000    
 C   -5.032600      0.9745000      -1.420000    
 C   -3.981600       1.061600      0.7537000    
 C   -4.707800       2.314500      -1.630600    
 C   -3.657100       2.401700      0.5431000    
 C   -4.020100       3.028200     -0.6491000    
 H    1.548600     -0.7656000       2.261800    
 H    2.526100      -2.856700      0.6947000    
 H   0.8673000       1.826000       1.505900    
 H    6.461200     -0.9093000      -1.583900    
 H    4.900100       3.498600     -0.8198000    
 H  -0.5951000      -1.619600       2.745400    
 H   0.5379000     -0.5138000      -1.275900    
 H   -2.800300      -2.288200       1.937200    
 H   -1.679200      -1.161200      -2.076800    
 H   -3.734600      -2.375700      -1.599700    
 H    4.243500      -4.319600     -0.2403000    
 H    1.215700       4.228300       1.241200    
 H    6.219900      -3.348800      -1.382700    
 H    3.236900       5.073200      7.7200003E-02
 H   -5.560500      0.4343000      -2.199500    
 H   -3.695900      0.5972000       1.691800    
 H   -4.988400       2.802000      -2.559700    
 H   -3.122200       2.957600       1.307600    
 H   -3.766800       4.071500     -0.8133000    


%chk=000148794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148794

0 1
S -5.109012 -1.387219 0.377396
O -6.398752 -2.172389 -0.233041
O -4.947234 -1.043240 1.962808
N 1.477364 -0.322769 1.559429
N 4.963997 0.950780 -0.629990
N -3.470073 -2.572792 -0.066839
C 2.603838 0.080694 0.796612
C 3.260402 -0.803810 -0.118938
C 3.144539 1.389806 1.013890
C 4.429559 -0.295116 -0.834333
C 4.352934 1.765392 0.286637
C 0.263266 -0.873643 1.102103
C 2.872942 -2.174116 -0.326572
C 2.544302 2.356888 1.894541
C -2.244029 -1.968808 0.280994
C 5.094956 -1.152295 -1.781069
C 4.931678 3.062435 0.519948
C -0.661810 -1.379812 2.064973
C -0.089412 -0.904714 -0.278925
C -1.888876 -1.923186 1.664732
C -1.331819 -1.421971 -0.673744
C 3.556656 -2.979246 -1.233649
C 3.130386 3.605723 2.091312
C 4.667308 -2.459847 -1.983544
C 4.343594 3.958047 1.407378
C -4.947359 0.260909 -0.554606
C -5.568997 0.374307 -1.810407
C -4.209819 1.292582 0.050905
C -5.435739 1.602487 -2.498873
C -4.084063 2.510769 -0.656949
C -4.691200 2.661867 -1.926290
H 1.487661 -0.044912 2.543660
H 2.037497 -2.590139 0.242771
H 1.596436 2.125329 2.393701
H 5.953731 -0.730460 -2.311839
H 5.844084 3.305067 -0.033127
H -0.397321 -1.364590 3.129544
H 0.597036 -0.500193 -1.027822
H -2.590918 -2.331190 2.396921
H -1.603460 -1.415330 -1.737136
H -3.590125 -2.685703 -1.094876
H 3.251722 -4.022042 -1.372827
H 2.657522 4.332478 2.760790
H 5.184787 -3.105724 -2.701120
H 4.793168 4.942235 1.577831
H -6.161051 -0.454476 -2.213102
H -3.777030 1.152430 1.046592
H -5.917657 1.732059 -3.473643
H -3.518700 3.337734 -0.214792
H -4.592807 3.609814 -2.466314


