%chk=000093614.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093614

0 1
 S   -1.865600      0.1290000     -0.9410000    
 O   0.6532000       2.391800     -0.2662000    
 O   -5.453400     -0.7393000      0.1891000    
 O   -4.402500      -1.001500      -1.725200    
 N    1.362800      0.3052000      0.4045000    
 N    3.456100      0.3050000     -0.8501000    
 N   -4.418500     -0.6142000     -0.5234000    
 C    2.572700      -1.616800       1.079700    
 C    2.798100      0.6248000      0.4347000    
 C    3.319200     -0.3483000       1.495000    
 C    1.149800      -1.072900      0.8758000    
 C    3.191500      -2.112400     -0.2392000    
 C    3.140300      -1.045800      -1.346400    
 C    3.212100       1.311500      -1.878300    
 C   0.3816000       1.256400      0.1261000    
 C   -1.000600      0.8484000      0.3455000    
 C   -1.756400      0.9630000       1.486400    
 C   -3.073100      0.4504000       1.303800    
 C   -3.267300     -3.4400001E-02  2.8999999E-02
 H    2.610800      -2.402600       1.839700    
 H    2.971000       1.665500      0.7293000    
 H    3.008000     -3.2299999E-02   2.498800    
 H    4.409100     -0.4557000       1.493100    
 H   0.5610000      -1.642900      0.1517000    
 H   0.6062000      -1.025800       1.825600    
 H    2.671200      -3.014500     -0.5812000    
 H    4.236500      -2.394400     -5.7999998E-02
 H    3.849000      -1.324100      -2.135700    
 H    2.142100      -1.063200      -1.804500    
 H    2.169200       1.330600      -2.210700    
 H    3.840200       1.116200      -2.754800    
 H    3.482100       2.310100      -1.517900    
 H   -1.390300       1.392100       2.410500    
 H   -3.830600      0.4433000       2.077800    


%chk=000093614-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093614

0 1
S -1.803350 -0.969066 0.419597
O 0.701624 2.284551 0.469426
O -5.760742 -0.428413 0.365082
O -4.448365 -2.314797 0.341946
N 1.368730 0.062197 0.573203
N 3.497351 0.433267 -0.690816
N -4.612971 -1.027281 0.370085
C 2.703313 -1.912131 0.787883
C 2.851047 0.442443 0.626758
C 3.390265 -0.713877 1.491119
C 1.228611 -1.417547 0.683739
C 3.365289 -2.085422 -0.605020
C 3.220633 -0.805169 -1.465258
C 3.310554 1.656279 -1.503125
C 0.399795 1.039894 0.500490
C -1.056910 0.690443 0.469851
C -2.046610 1.681860 0.477719
C -3.383659 1.186811 0.445251
C -3.429247 -0.203349 0.410246
H 2.758868 -2.852150 1.362443
H 2.933849 1.445422 1.069750
H 3.057200 -0.604349 2.538859
H 4.489256 -0.763431 1.456497
H 0.720166 -1.848253 -0.200346
H 0.658951 -1.695420 1.591908
H 2.913107 -2.933610 -1.153347
H 4.435665 -2.320396 -0.455801
H 3.919275 -0.845918 -2.321222
H 2.188022 -0.769258 -1.895865
H 2.286345 1.747339 -1.930694
H 4.037907 1.652340 -2.335480
H 3.493951 2.547247 -0.880709
H -1.769749 2.736963 0.503644
H -4.282669 1.804980 0.445687


