%chk=000040316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040316

0 1
 S   -1.471900       1.925100     -0.1443000    
 O    5.774000      -1.506500     -0.5825000    
 O    3.770300      -1.316800      -1.624200    
 N  -0.8192000     -0.5476000      0.1903000    
 C    4.142300     -3.8699999E-02  0.4238000    
 C    2.765800      0.5179000      0.2746000    
 C   0.3613000      0.1807000      0.1728000    
 C    1.665100     -0.3428000      0.3125000    
 C   0.2070000       1.559400     -1.3000000E-03
 C    2.587400       1.885900      0.1004000    
 C    1.308100       2.429800     -4.0300000E-02
 C    4.386100     -0.7496000       1.770200    
 C   -1.838800      0.2639000      3.3100002E-02
 C    4.515800      -1.006400     -0.7042000    
 C   -3.222800     -0.1462000      1.3000000E-03
 C   -3.597500      -1.375000      0.5433000    
 C   -4.182800      0.6867000     -0.5722000    
 C   -4.934500      -1.771400      0.5118000    
 C   -5.519800      0.2903000     -0.6035000    
 C   -5.895700     -0.9387000     -6.1500002E-02
 H    4.865600      0.7852000      0.3503000    
 H    1.793400      -1.413000      0.4494000    
 H    3.442100       2.557700      7.1000002E-02
 H    1.176200       3.498900     -0.1760000    
 H    4.090900     -0.1066000       2.606700    
 H    3.816900      -1.683100       1.843700    
 H    5.444300      -1.000100       1.901400    
 H   -2.867400      -2.039800      0.9982000    
 H   -3.954200       1.641700      -1.035100    
 H   -5.227600      -2.728200      0.9340000    
 H   -6.268100      0.9352000      -1.055200    
 H   -6.936500      -1.248100     -8.7099999E-02
 H    5.992200      -2.126800      -1.310400    


%chk=000040316-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040316

0 1
S -1.403722 2.121879 -0.385246
O 5.229220 -0.905487 -1.488510
O 4.098841 -2.485216 -0.217702
N -0.800173 -0.447340 0.192766
C 4.235768 -0.135493 0.579930
C 2.846922 0.460277 0.298475
C 0.421734 0.242374 0.147785
C 1.688560 -0.343375 0.369496
C 0.321371 1.643420 -0.149685
C 2.727389 1.846545 -0.004031
C 1.470833 2.450672 -0.228459
C 4.376411 -0.603510 2.051207
C -1.842150 0.325693 -0.049263
C 4.489873 -1.306872 -0.366983
C -3.242073 -0.113605 -0.066797
C -3.536522 -1.478835 0.214925
C -4.309740 0.779251 -0.355188
C -4.869361 -1.932700 0.208183
C -5.642383 0.319137 -0.360830
C -5.928269 -1.037435 -0.079204
H 4.995079 0.633412 0.357244
H 1.749599 -1.415378 0.582218
H 3.633044 2.460697 -0.066799
H 1.404478 3.518027 -0.458612
H 4.157076 0.234493 2.734809
H 3.673851 -1.426264 2.265210
H 5.399933 -0.965916 2.254949
H -2.705803 -2.156321 0.434514
H -4.100704 1.832794 -0.576326
H -5.085783 -2.984110 0.426685
H -6.457091 1.016166 -0.584646
H -6.964423 -1.393186 -0.083929
H 5.336213 -1.680792 -2.105182


