%chk=000074385.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074385

0 1
 S   -3.470600      0.9153000      0.2740000    
 S    3.034900      -1.136100      -2.019600    
 P    3.393800     -0.2163000     -0.3377000    
 O    2.266100     -0.3365000      0.8208000    
 O   -4.149000      0.5569000       1.512900    
 O   -3.581900       2.277000     -0.2319000    
 O    4.722700     -0.7020000      0.4689000    
 O    3.642900       1.390100     -0.4038000    
 N   -3.968100     -0.1650000     -0.9534000    
 C   -1.772000      0.5444000      0.4359000    
 C  -0.8325000       1.227100     -0.3366000    
 C   -1.354600     -0.4346000       1.337600    
 C   -3.826000      -1.614500     -0.7548000    
 C   0.9344000     -4.6300001E-02  0.6935000    
 C   0.5245000      0.9309000     -0.2075000    
 C   2.3000001E-03 -0.7307000       1.466800    
 C   -4.921600      -2.378000      -1.479300    
 C    4.769100      -2.001200       1.034900    
 C    4.585500       1.919500      -1.320600    
 H   -3.939700      0.1604000      -1.927600    
 H   -1.135200       1.989100      -1.049300    
 H   -2.068300     -0.9808000       1.947900    
 H   -2.849400      -1.928900      -1.136900    
 H   -3.877200      -1.863500      0.3096000    
 H    1.224900       1.486400     -0.8199000    
 H   0.3234000      -1.494300       2.169500    
 H   -5.910000      -2.084700      -1.110500    
 H   -4.893000      -2.175300      -2.555000    
 H   -4.802400      -3.455100      -1.328600    
 H    5.721900      -2.119300       1.556800    
 H    4.700300      -2.758200      0.2500000    
 H    3.955100      -2.131600       1.752100    
 H    4.820900       2.944900      -1.025000    
 H    4.157900       1.931000      -2.326100    
 H    5.504600       1.327600      -1.309700    


%chk=000074385-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000074385

0 1
S -3.626564 0.895051 0.302813
S 3.177498 -1.375788 -1.922421
P 3.521526 -0.242230 -0.240347
O 2.301365 -0.218683 1.010287
O -4.324494 0.404762 1.685236
O -3.769601 2.389493 -0.318444
O 4.882447 -0.634534 0.732399
O 3.748299 1.453672 -0.424478
N -4.312189 -0.212457 -0.992908
C -1.770142 0.544852 0.486380
C -0.871369 1.286559 -0.299333
C -1.364080 -0.420115 1.424774
C -4.255483 -1.666863 -0.710593
C 0.934354 0.047520 0.764908
C 0.509199 1.036484 -0.154035
C 0.015832 -0.678433 1.556795
C -5.182523 -2.393783 -1.703480
C 5.227340 -2.061248 0.946932
C 4.784948 1.919446 -1.381932
H -3.935603 0.093250 -1.905885
H -1.239702 2.066000 -0.974364
H -2.103328 -0.931993 2.049089
H -3.224801 -2.082711 -0.770260
H -4.625980 -1.806837 0.320287
H 1.246632 1.616106 -0.717845
H 0.391770 -1.418763 2.268140
H -6.209918 -2.002786 -1.619804
H -4.843493 -2.262457 -2.747683
H -5.192622 -3.476832 -1.483635
H 6.250717 -2.040137 1.348335
H 5.196114 -2.620660 -0.005967
H 4.535127 -2.509213 1.679930
H 4.625808 3.004991 -1.452077
H 4.646701 1.444194 -2.370440
H 5.789916 1.701844 -0.982972


