%chk=000155756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155756

0 1
 S  -0.6822000     -0.8773000      -1.403100    
 S    3.593700      -3.131600      0.7772000    
 O   -1.362100       3.267100      0.5906000    
 O   -3.712600       1.159800       1.866000    
 O   -4.912800       2.184800      0.2110000    
 O    2.775700       1.621100      -1.990800    
 O    4.953600      0.8254000       1.702000    
 N   -1.938500       1.325900     -0.6178000    
 N    1.118400       1.371200     -0.3473000    
 N   -4.651000      -1.982900      0.7018000    
 N    4.060200       1.529900      0.8830000    
 N   -5.670400      -2.633300       1.013500    
 N    4.651900      -1.236900     -0.6273000    
 N    5.561700      -3.388400     -0.9926000    
 N   -6.601200      -3.227500       1.298900    
 C   -1.047400      0.8725000      -1.670100    
 C  -2.3399999E-02   1.881400      -1.105600    
 C   -1.194000       2.376200     -0.2089000    
 C   -3.114800      0.7204000     -0.3118000    
 C   -3.410100     -0.5210000     -0.7654000    
 C   -2.429400      -1.380400      -1.560100    
 C   -4.725400      -1.226500     -0.5374000    
 C   -4.024700       1.446400      0.5868000    
 C    2.395100       1.298000     -0.8771000    
 C    3.403400      0.7364000      9.1700003E-02
 C    3.673100     -0.7032000      0.1622000    
 C    2.985800      -1.541800      0.9870000    
 C    4.701800      -2.528100     -0.3858000    
 C    5.625400       1.762400       2.529500    
 H   -1.409700       1.122700      -2.674300    
 H   0.2784000       2.644700      -1.833800    
 H   -2.709400      -1.367600      -2.619100    
 H   -2.479000      -2.418200      -1.213500    
 H   0.9846000       1.048000      0.6082000    
 H   -4.954000      -1.884400      -1.385800    
 H   -5.546000     -0.5001000     -0.4870000    
 H   -4.297600       1.624500       2.501800    
 H    2.185500      -1.325600       1.680800    
 H    5.566800      -4.380000     -0.7771000    
 H    6.232200      -3.073500      -1.686000    
 H    4.908200       2.294500       3.162200    
 H    6.324200       1.219200       3.171200    
 H    6.189800       2.473800       1.918600    


%chk=000155756-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000155756

0 1
S -1.357972 -1.524533 0.313987
S 6.822016 -1.495753 -2.370952
O -0.787203 2.823362 -1.531391
O -3.155944 3.199460 -0.005124
O -5.243026 2.451179 -0.697120
O 2.400155 -0.511917 -2.637481
O 4.037261 0.086062 1.835116
N -2.099155 0.786193 -1.042749
N 1.089301 0.182609 -0.849245
N -5.376008 -0.771400 2.058535
N 3.054188 0.082022 0.804744
N -6.469496 -0.771284 2.695954
N 5.833448 -0.922475 0.065321
N 8.132544 -1.580433 0.123212
N -7.394712 -0.842288 3.438596
C -1.379670 -0.494198 -1.257009
C -0.096820 0.319856 -1.650695
C -0.968688 1.606797 -1.408907
C -3.372854 0.873605 -0.445613
C -3.959454 -0.240466 0.123014
C -3.256932 -1.576952 0.303484
C -5.385825 -0.231394 0.641843
C -4.040808 2.218096 -0.422749
C 2.294271 -0.223942 -1.405080
C 3.452732 -0.291589 -0.410733
C 4.781589 -0.729302 -0.862680
C 5.113360 -0.985227 -2.196380
C 6.946096 -1.313544 -0.517639
C 3.382836 0.538535 3.084678
H -1.821030 -1.103533 -2.062325
H 0.195844 0.178519 -2.705847
H -3.562820 -2.298532 -0.477683
H -3.548338 -1.992533 1.283300
H 1.103587 0.400505 0.154381
H -6.009921 -0.900638 0.009916
H -5.835855 0.773759 0.601144
H -3.573659 4.100262 -0.074933
H 4.458429 -0.913496 -3.059847
H 8.958191 -1.889294 -0.379712
H 8.166592 -1.465830 1.133650
H 2.577546 -0.159070 3.372911
H 4.190951 0.528356 3.832145
H 2.979053 1.558444 2.962262


