%chk=000037978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037978

0 1
 S    3.070100     -0.9079000      -1.153600    
 S    3.870900      0.2156000       1.479400    
 O  -0.1024000      -1.606200       1.581900    
 N    2.073500       1.440400     -0.2174000    
 N   0.4530000      -1.368300     -0.6596000    
 N   -3.369500      0.1322000      -1.317800    
 C    1.746600      -2.018100     -0.6005000    
 C   -1.640500     -0.4932000      0.2102000    
 C  -0.3670000      -1.217400      0.4476000    
 C    2.941700      0.3698000      7.5700000E-02
 C    1.379600       2.192500      0.8306000    
 C    1.787900       1.920700      -1.572600    
 C   -2.243300      0.1888000       1.240000    
 C   -2.211900     -0.5061000      -1.034400    
 C   -3.435800      0.8579000      0.9874000    
 C   -3.952800      0.7994000     -0.2968000    
 H    1.706800      -2.874900      -1.279100    
 H    1.955200      -2.386100      0.4080000    
 H   0.1976000     -0.9690000      -1.555700    
 H   0.3328000       2.325700      0.5410000    
 H    1.859000       3.170100      0.9338000    
 H    1.406900       1.668700       1.788700    
 H    2.504100       1.530000      -2.298300    
 H    1.850900       3.013200      -1.584500    
 H   0.7764000       1.608700      -1.847500    
 H   -1.814600      0.2243000       2.236700    
 H   -1.806600      -1.050300      -1.879600    
 H   -3.943700       1.409100       1.770500    
 H   -4.880000       1.304900     -0.5457000    


%chk=000037978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037978

0 1
S 1.340183 1.585546 1.443085
S 2.374780 -0.718035 -0.432022
O -2.327820 0.333434 2.162471
N 3.332745 1.831165 -0.379683
N -0.473422 -0.554234 1.071420
N -3.001032 -1.613476 -2.252953
C 0.476934 -0.043400 2.014293
C -2.696378 -0.770702 0.032723
C -1.833312 -0.280237 1.165198
C 2.452758 0.911873 0.125795
C 4.192776 1.473490 -1.531918
C 3.482921 3.204395 0.154081
C -4.100609 -0.783261 0.231447
C -2.201256 -1.184478 -1.233063
C -4.939707 -1.224320 -0.810416
C -4.348506 -1.636019 -2.028562
H 1.298049 -0.756492 2.174434
H -0.026764 0.252500 2.946154
H -0.059465 -1.024776 0.257954
H 4.522199 2.400156 -2.029492
H 3.626978 0.847556 -2.240528
H 5.074958 0.895035 -1.200449
H 3.247089 3.229640 1.230385
H 2.816708 3.914273 -0.371797
H 4.528522 3.527388 0.020876
H -4.492991 -0.440971 1.194433
H -1.130627 -1.157992 -1.473377
H -6.027009 -1.250579 -0.689831
H -4.963802 -1.992977 -2.862256


