%chk=000161996.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161996

0 1
 S   0.5699000      0.8787000      0.5470000    
 O   -1.814100       2.710200     -2.5000000E-02
 O    4.211700      0.7577000       1.163500    
 O   -3.134200      -2.641700      0.1142000    
 O    3.472600      -1.373200      0.9209000    
 N    3.548000     -0.5102000      -1.892600    
 C    2.917400      0.2331000     -0.7998000    
 C    1.405500      3.9999999E-04 -0.8124000    
 C   -1.134800      0.4183000      0.2641000    
 C   -2.113000       1.380300      1.4400000E-02
 C   -1.476900     -0.9333000      0.2978000    
 C    3.559100     -0.2270000      0.4958000    
 C   -2.798700      -1.323000      8.1699997E-02
 C   -3.434800      0.9906000     -0.2015000    
 C   -3.777600     -0.3610000     -0.1679000    
 H    3.127800       1.300000     -0.9435000    
 H   0.9782000      0.3457000      -1.760900    
 H    1.194700      -1.070900     -0.7212000    
 H  -0.7264000      -1.692900      0.5042000    
 H    4.537300     -0.2692000      -1.943200    
 H    3.140600     -0.2220000      -2.781500    
 H   -4.208700       1.728000     -0.3971000    
 H   -4.808900     -0.6586000     -0.3369000    
 H   -2.624100       3.215300     -0.2110000    
 H    4.601500      0.4341000       2.003600    
 H   -2.336100      -3.166400      0.2979000    


%chk=000161996-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161996

0 1
S 0.463747 1.693512 -0.173579
O -2.276715 2.841636 -0.575225
O 4.092116 -0.665168 1.125663
O -2.477163 -2.637716 0.755547
O 1.946691 -1.466356 0.776480
N 3.786463 -0.245986 -1.720549
C 2.889230 0.332276 -0.694433
C 1.487769 0.541914 -1.290617
C -1.127010 0.774491 -0.045521
C -2.344425 1.472866 -0.252297
C -1.156985 -0.594712 0.305454
C 2.862177 -0.679862 0.457882
C -2.391832 -1.272911 0.415388
C -3.576327 0.782401 -0.126492
C -3.607737 -0.587229 0.199877
H 3.255763 1.298230 -0.273963
H 1.566231 1.037396 -2.273466
H 0.954933 -0.413081 -1.405250
H -0.211034 -1.113389 0.506362
H 4.747508 -0.395895 -1.400251
H 3.729762 0.215360 -2.632428
H -4.519701 1.319220 -0.291361
H -4.553377 -1.127540 0.295832
H -3.186095 3.208862 -0.704941
H 4.095686 -1.357974 1.840779
H -1.573673 -3.017343 0.891709


