%chk=000112671.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112671

0 1
 S    4.260600     -0.9863000      -1.093800    
 O   -6.547800     -0.6512000      -1.773000    
 O   -2.566400       2.300700     -0.1289000    
 O   -7.213300      -3.034700     -0.4685000    
 O   0.9071000       2.227500      -1.791200    
 O    7.936000      -1.183100      0.1130000    
 O    7.033100      -1.420800      -1.878500    
 N   -4.142200      1.0400000E-02 -1.0100000E-02
 N   0.1491000       2.190100      0.4400000    
 N    1.304100     -0.2835000       1.146700    
 N    1.950200     -0.5310000      0.1027000    
 N    3.930700     -0.5221000       1.427800    
 N    6.920100      -1.198500     -0.6392000    
 C   -5.016800      -1.139100      3.3199999E-02
 C   -6.447400     -0.7631000     -0.3529000    
 C   -2.787900     -4.4000000E-02  0.2748000    
 C   -2.000700       1.106000      0.2127000    
 C  -0.6378000       1.034500      0.5014000    
 C   -7.486300      -1.770900      0.1290000    
 C   -2.212500      -1.265100      0.6259000    
 C  -6.2399998E-02 -0.1867000      0.8524000    
 C  -0.8498000      -1.336500      0.9146000    
 C   0.8491000       2.697500     -0.6596000    
 C   -3.078800       3.099200      0.9341000    
 C    1.579600       3.970800     -0.3139000    
 C    3.295300     -0.6469000      0.2838000    
 C    5.652900     -0.9669000     -9.2500001E-02
 C    5.282200     -0.7063000       1.210100    
 H   -4.650800      -1.911200     -0.6546000    
 H   -5.019800      -1.542600       1.052900    
 H   -6.708700      0.2147000      7.0100002E-02
 H   -4.527500      0.9068000     -0.2865000    
 H   -7.463600      -1.878600       1.217800    
 H   -8.489600      -1.466200     -0.1858000    
 H   -2.784000      -2.186100      0.6892000    
 H  -0.4112000      -2.292800       1.188300    
 H   0.2960000       2.647500       1.337200    
 H   -5.883900     -1.5000000E-03  -2.060900    
 H   -7.890800      -3.653600     -0.1466000    
 H   -3.522800       3.999900      0.5014000    
 H   -2.275400       3.399800       1.613800    
 H   -3.854100       2.560900       1.488400    
 H    2.388300       3.749000      0.3879000    
 H   0.8893000       4.688800      0.1380000    
 H    2.003300       4.412300      -1.220200    
 H    5.957800     -0.6372000       2.052900    


%chk=000112671-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112671

0 1
S 4.018031 -2.671114 0.015965
O -5.033433 -1.256855 -1.700417
O -3.073950 2.443163 0.995649
O -6.119729 -3.469292 -0.493754
O -1.337552 3.762685 -0.974580
O 7.849669 -1.483355 0.009521
O 6.894290 -3.570682 -0.160248
N -4.455036 0.273464 0.745638
N -0.022573 2.346890 0.361103
N 1.106453 -0.008127 0.323973
N 1.746924 -1.175456 0.224368
N 3.920363 0.026272 0.269416
N 6.824051 -2.279655 -0.034940
C -5.468465 -0.784109 0.716756
C -6.077943 -1.009624 -0.695042
C -3.093366 0.111420 0.607882
C -2.294913 1.316333 0.698377
C -0.907336 1.249473 0.482426
C -6.944324 -2.282893 -0.727758
C -2.460873 -1.164266 0.430378
C -0.274651 -0.061888 0.389783
C -1.074024 -1.246269 0.366553
C -0.232624 3.496589 -0.422732
C -2.529981 3.474744 1.900301
C 0.991999 4.399469 -0.526682
C 3.120567 -1.061535 0.191415
C 5.521207 -1.686849 0.061387
C 5.248164 -0.319657 0.196775
H -5.043024 -1.737772 1.072233
H -6.281156 -0.503925 1.412878
H -6.691073 -0.127810 -0.981714
H -4.744249 1.245129 0.905149
H -7.694932 -2.268605 0.080209
H -7.463183 -2.340879 -1.705331
H -3.070463 -2.068378 0.364216
H -0.561197 -2.208068 0.278031
H 0.957477 2.038671 0.490735
H -4.410715 -0.488813 -1.749072
H -5.409446 -3.458419 -1.187916
H -3.413922 3.968380 2.333004
H -1.940246 4.206439 1.329466
H -1.920955 3.012550 2.698309
H 1.941821 3.839048 -0.476632
H 0.987271 5.134765 0.299598
H 0.943215 4.955637 -1.475067
H 6.026334 0.443075 0.243793


