%chk=000001784.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001784

0 1
 S   0.5354000      -1.138600       1.825100    
 O  -0.2360000       2.165100     -0.2991000    
 O   -5.745600     -0.5001000      0.1643000    
 O   0.2423000       1.027100      -2.273700    
 N    2.829800      0.4808000      0.3292000    
 C    1.839300       1.430700      0.5963000    
 C    2.683200     -0.9019000      2.3000001E-03
 C   0.4461000       1.185900      0.4093000    
 C  -0.2085000      0.1238000      0.9085000    
 C    1.668200      -1.698900      0.5612000    
 C    4.056900       1.122600      0.4164000    
 C    2.478200       2.615100      0.9342000    
 C   -1.658300     -3.9600000E-02  0.7137000    
 C    3.865700       2.421200      0.8200000    
 C    3.608100      -1.482200     -0.8835000    
 C    1.584500      -3.054200      0.1998000    
 C    3.506500      -2.828500      -1.235100    
 C    2.493000      -3.612800     -0.6981000    
 C   -2.138100     -0.7250000     -0.4017000    
 C   -2.550200      0.4913000       1.644700    
 C   -3.512000     -0.8796000     -0.5864000    
 C   -3.924100      0.3366000       1.459900    
 C   -4.405000     -0.3488000      0.3443000    
 C  -0.2592000       1.955500      -1.652700    
 C   -1.031500       3.066700      -2.301200    
 C   -6.168400      -1.212200     -0.9976000    
 H    4.983500      0.5935000      0.2370000    
 H    1.979100       3.539200       1.194600    
 H    4.645700       3.148200      0.9964000    
 H    4.400500     -0.8995000      -1.346400    
 H   0.8161000      -3.697900      0.6239000    
 H    4.217700      -3.262000      -1.932200    
 H    2.414700      -4.661700     -0.9686000    
 H   -1.454900      -1.146600      -1.135200    
 H   -2.191500       1.029500       2.518800    
 H   -3.816900      -1.423100      -1.474300    
 H   -4.615000      0.7525000       2.188100    
 H  -0.5571000       4.026400      -2.080600    
 H   -2.064800       3.055700      -1.945200    
 H   -1.033700       2.921900      -3.385300    
 H   -5.824600      -2.251900     -0.9796000    
 H   -5.874600     -0.6935000      -1.916500    
 H   -7.263000      -1.237200     -0.9808000    


%chk=000001784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001784

0 1
S 0.682222 -0.826253 2.111589
O -0.304737 2.226243 -0.449338
O -5.812543 -1.109281 0.269040
O 0.361688 1.435280 -2.554243
N 2.883885 0.459541 0.289658
C 1.866473 1.451177 0.297206
C 2.735218 -0.959740 0.156509
C 0.434418 1.196296 0.249046
C -0.274383 0.206828 0.879798
C 1.779565 -1.690906 0.912793
C 4.128318 1.104478 0.269847
C 2.505477 2.706041 0.270354
C -1.700472 -0.120842 0.690388
C 3.918811 2.487431 0.266598
C 3.589992 -1.656427 -0.735402
C 1.699095 -3.094526 0.782464
C 3.519634 -3.059903 -0.845279
C 2.575715 -3.785622 -0.082889
C -2.287024 -0.134683 -0.604441
C -2.525799 -0.467606 1.799927
C -3.647327 -0.456918 -0.792234
C -3.882043 -0.782883 1.629517
C -4.452197 -0.774722 0.330487
C -0.188476 2.311508 -1.861661
C -0.842972 3.584791 -2.342214
C -6.448903 -1.120638 -1.050436
H 5.050484 0.529165 0.309293
H 1.985072 3.662063 0.287278
H 4.698363 3.246728 0.287385
H 4.287239 -1.085702 -1.357152
H 0.947035 -3.635396 1.365159
H 4.186832 -3.581793 -1.539373
H 2.511748 -4.875181 -0.169975
H -1.662130 0.068160 -1.480103
H -2.094684 -0.485443 2.806835
H -4.057874 -0.473589 -1.806329
H -4.519016 -1.041629 2.480592
H -0.247423 4.455567 -2.013990
H -1.846914 3.688917 -1.897400
H -0.908409 3.581074 -3.439617
H -5.984387 -1.874804 -1.715089
H -6.399848 -0.123402 -1.529500
H -7.498225 -1.389899 -0.860897


