%chk=000113922.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113922

0 1
 S    2.103500      0.5198000       1.967100    
 O  -0.8817000      -1.494500      -1.897400    
 N   -2.846200     -0.7008000     -5.4099999E-02
 N   0.4336000     -2.2900000E-02 -0.6055000    
 C   -4.122100     -0.1275000      0.3729000    
 C   -2.184400      -1.117400       1.182000    
 C   -4.590200      -1.100000       1.445400    
 C   -3.316500      -1.748000       1.979400    
 C   -2.044700      0.2390000     -0.8240000    
 C  -0.7643000     -0.4862000      -1.194800    
 C   -2.764900      0.6800000      -2.079800    
 C    1.532100     -0.9300000     -0.3461000    
 C   0.6607000       1.357900     -0.2534000    
 C    2.368000     -0.7736000      0.7763000    
 C    1.409200       1.731900      0.8741000    
 C    1.806900      -2.004200      -1.213300    
 C   0.1832000       2.383400      -1.091600    
 C    3.414800      -1.676700       1.024200    
 C    1.607400       3.087200       1.181700    
 C    2.854900      -2.895900     -0.9661000    
 C   0.3901000       3.730700     -0.7875000    
 C    3.656200      -2.735200      0.1552000    
 C    1.094400       4.083000      0.3555000    
 H   -4.854500     -6.7400001E-02 -0.4382000    
 H   -3.997300      0.8714000      0.8105000    
 H   -1.776400     -0.2629000       1.737600    
 H   -1.382700      -1.844600       1.018500    
 H   -5.244600      -1.868100       1.016500    
 H   -5.147000     -0.5880000       2.236600    
 H   -3.194500      -1.576600       3.053700    
 H   -3.354500      -2.831100       1.813700    
 H   -1.851200       1.119700     -0.2071000    
 H   -3.206700     -0.1709000      -2.613300    
 H   -3.571600       1.386300      -1.855400    
 H   -2.092700       1.168800      -2.791100    
 H    1.255000      -2.155300      -2.135000    
 H  -0.3244000       2.151000      -2.021600    
 H    4.052400      -1.565900       1.898900    
 H    2.170300       3.382200       2.064700    
 H    3.047400      -3.709700      -1.659400    
 H   8.9999996E-03   4.501000      -1.451600    
 H    4.469700      -3.427300      0.3500000    
 H    1.257300       5.129100      0.5963000    


%chk=000113922-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113922

0 1
S 1.760073 0.209375 2.080858
O -0.805843 -1.793601 -1.666270
N -2.930047 -0.637353 0.038880
N 0.461772 -0.116040 -0.637340
C -4.200004 0.036216 0.424466
C -2.289302 -1.008894 1.332679
C -4.737201 -0.838422 1.587530
C -3.469171 -1.537850 2.185239
C -2.062971 0.153696 -0.873866
C -0.766690 -0.660523 -1.117793
C -2.760720 0.396838 -2.230541
C 1.622054 -0.973595 -0.478891
C 0.637195 1.267691 -0.261191
C 2.335114 -0.922134 0.745955
C 1.238559 1.583238 0.983056
C 2.060779 -1.848129 -1.500734
C 0.289633 2.318978 -1.145096
C 3.463886 -1.739997 0.960453
C 1.429649 2.927120 1.370171
C 3.177297 -2.683235 -1.278696
C 0.459636 3.663320 -0.753486
C 3.877533 -2.634970 -0.051492
C 1.020024 3.969703 0.509572
H -4.901399 0.082706 -0.425660
H -4.017119 1.084946 0.780001
H -1.815148 -0.123226 1.829304
H -1.503252 -1.765955 1.170849
H -5.444293 -1.592962 1.203474
H -5.271881 -0.224064 2.333101
H -3.324709 -1.306936 3.255060
H -3.553809 -2.632984 2.085191
H -1.809108 1.133802 -0.403670
H -3.016904 -0.575256 -2.683455
H -3.680518 0.992650 -2.103859
H -2.098415 0.944775 -2.925738
H 1.509644 -1.889973 -2.441278
H -0.114000 2.074389 -2.133206
H 4.012135 -1.673708 1.905792
H 1.903473 3.152313 2.331179
H 3.499987 -3.370133 -2.068026
H 0.169990 4.467558 -1.437683
H 4.746586 -3.279805 0.116056
H 1.160485 5.012132 0.813604


