%chk=000082456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082456

0 1
 S    0.000000       1.352700      0.4466000    
 O  -1.9999999E-04   1.708500       1.850900    
 O   9.9999997E-05   2.352600     -0.6041000    
 N   -4.971300      0.7706000     -0.7318000    
 N    4.971400      0.7705000     -0.7320000    
 C  -9.9999997E-05  -1.723000      0.6610000    
 C   -1.411500      0.3437000      0.1741000    
 C    1.411600      0.3436000      0.1745000    
 C   -1.281200      -1.044700      0.2474000    
 C    1.281200      -1.044700      0.2473000    
 C   -2.620900      0.9581000     -0.1545000    
 C    2.621100      0.9581000     -0.1536000    
 C   -2.425000      -1.820700      8.8999998E-03
 C    2.424800      -1.820800      8.2000000E-03
 C   -3.739900      0.1678000     -0.4019000    
 C    3.740000      0.1678000     -0.4014000    
 C   -3.643200      -1.220000     -0.3195000    
 C    3.643200      -1.220100     -0.3199000    
 H    0.000000      -1.823000       1.754000    
 H  -9.9999997E-05  -2.737900      0.2418000    
 H   -2.693800       2.040900     -0.2133000    
 H    2.694100       2.041000     -0.2121000    
 H   -2.377000      -2.904900      8.0399998E-02
 H    2.376600      -2.905000      7.9200000E-02
 H   -4.511300      -1.848200     -0.5037000    
 H    4.511000      -1.848300     -0.5046000    
 H   -5.782700      0.1960000     -0.9170000    
 H   -5.040800       1.777400     -0.7973000    
 H    5.783100      0.1958000     -0.9157000    
 H    5.041500       1.777400     -0.7950000    


%chk=000082456-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082456

0 1
S -0.000007 1.365459 1.034013
O -0.000089 1.285401 2.671603
O 0.000056 2.829562 0.296960
N -4.736751 0.764999 -1.204024
N 4.736951 0.764826 -1.203529
C -0.000066 -1.692112 1.101193
C -1.421606 0.313005 0.379865
C 1.421620 0.312953 0.380009
C -1.271803 -1.083708 0.512082
C 1.271753 -1.083754 0.512210
C -2.520721 0.965850 -0.180476
C 2.520818 0.965758 -0.180218
C -2.361867 -1.852425 0.036641
C 2.361838 -1.852511 0.036883
C -3.608709 0.169757 -0.644123
C 3.608826 0.169625 -0.643752
C -3.507277 -1.248501 -0.520588
C 3.507329 -1.248629 -0.520226
H -0.000117 -1.521522 2.198387
H -0.000078 -2.783605 0.940853
H -2.525313 2.058847 -0.263433
H 2.525459 2.058755 -0.263173
H -2.310270 -2.945902 0.099230
H 2.310196 -2.945986 0.099468
H -4.330840 -1.878888 -0.876897
H 4.330908 -1.879046 -0.876446
H -5.516565 0.201613 -1.529337
H -4.807213 1.775072 -1.284013
H 5.516779 0.201412 -1.528757
H 4.807460 1.774896 -1.283507


