%chk=000127754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127754

0 1
 S   -1.413300       1.593100      0.3336000    
 O    3.521400      -1.502600     -0.3090000    
 O    3.757400       1.197100      0.2611000    
 O   -5.705300     -0.8747000     -0.1967000    
 N   -4.456300       1.318000      0.2676000    
 N   -4.312000     -0.9935000     -0.2192000    
 C  -2.3900000E-02 -0.5407000     -0.1147000    
 C   0.1195000      0.8200000      0.1735000    
 C    1.148600      -1.317900     -0.2760000    
 C   -1.408100     -0.9111000     -0.1967000    
 C    1.389600       1.415800      0.3024000    
 C    2.409900     -0.7301000     -0.1483000    
 C    2.526700      0.6226000      0.1373000    
 C   -2.258800      0.1457000      2.5100000E-02
 C   -3.685700      0.1584000      2.5400000E-02
 C    4.046600      -2.131700      0.8579000    
 C    4.343600       1.731700     -0.9233000    
 H    1.065100      -2.378800     -0.5014000    
 H   -1.744200      -1.918900     -0.4107000    
 H    1.484000       2.475000      0.5271000    
 H    4.932200      -2.704300      0.5692000    
 H    3.310500      -2.818600       1.287600    
 H    4.340700      -1.383300       1.600500    
 H    3.720500       2.533600      -1.331600    
 H    4.484200      0.9464000      -1.672800    
 H    5.321600       2.146400     -0.6646000    
 H   -4.017400       2.212800      0.4567000    
 H   -5.469600       1.279300      0.2569000    
 H   -5.981500      -1.786500     -0.3899000    


%chk=000127754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127754

0 1
S -1.540561 1.646128 0.685651
O 3.457611 -1.486575 -0.528339
O 3.736429 1.230640 0.472944
O -5.898261 -0.903702 0.006421
N -4.573901 1.288402 -0.012430
N -4.424976 -1.105799 0.107614
C -0.111385 -0.469620 -0.163816
C 0.057459 0.856536 0.352203
C 1.049598 -1.239612 -0.444274
C -1.500958 -0.837334 -0.322528
C 1.328029 1.426031 0.552573
C 2.323600 -0.694367 -0.226184
C 2.466888 0.653895 0.246789
C -2.391926 0.146404 0.061299
C -3.857738 0.106299 0.047069
C 4.281719 -1.845202 0.651333
C 4.573711 1.390115 -0.742024
H 0.972528 -2.265392 -0.817964
H -1.841530 -1.795205 -0.720471
H 1.470557 2.444215 0.925313
H 5.125299 -2.428716 0.252367
H 3.691041 -2.465982 1.351358
H 4.646032 -0.938991 1.168202
H 4.095359 2.105136 -1.437760
H 4.726340 0.418918 -1.244997
H 5.530978 1.797918 -0.383675
H -4.118844 2.175274 -0.209459
H -5.589935 1.222098 0.004496
H -6.237162 -1.828311 0.095289


