%chk=000036028.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036028

0 1
 S   -4.557600      2.2100000E-02 -0.3250000    
 P    2.336300      0.1352000      0.7324000    
 O    1.167900       1.223000      0.4458000    
 O    3.668700       1.066900      0.6264000    
 O    2.227000     -0.4682000       2.110200    
 O   -5.030300     -0.7376000      0.8221000    
 O   -5.228300       1.256800     -0.7041000    
 N    2.370100     -0.9185000     -0.5499000    
 C    3.442000      -1.900400     -0.6180000    
 C   -2.857600      0.3572000     -8.0899999E-02
 C   -2.070400     -0.4561000      0.7343000    
 C  -0.1592000      0.9367000      0.2716000    
 C    3.777000      -2.217800      -2.072700    
 C    3.025900      -3.159600      0.1358000    
 C  -0.7175000     -0.1655000      0.9111000    
 C   -2.292100       1.460900     -0.7193000    
 C  -0.9392000       1.751400     -0.5427000    
 C   -2.644400      -1.646000       1.431500    
 C   -4.593600      -1.047000      -1.744700    
 C    3.886100       1.877500     -0.5165000    
 C    5.189200       2.629000     -0.3474000    
 H    4.346900      -1.492400     -0.1525000    
 H    1.488400      -1.349300     -0.8259000    
 H    4.597300      -2.941300      -2.132100    
 H    2.915400      -2.641900      -2.600600    
 H    4.090100      -1.314300      -2.607600    
 H    2.826000      -2.948500       1.191100    
 H    3.822900      -3.910300      9.7700000E-02
 H    2.124600      -3.609800     -0.2958000    
 H  -0.1240000     -0.8035000       1.555200    
 H   -2.881900       2.105000      -1.365200    
 H  -0.5020000       2.610700      -1.043100    
 H   -1.842800      -2.269900       1.847200    
 H   -3.260900      -1.347600       2.284600    
 H   -3.184700      -2.307300      0.7480000    
 H   -5.635600      -1.303200      -1.948400    
 H   -4.168100     -0.5169000      -2.599100    
 H   -4.024700      -1.952800      -1.529600    
 H    3.930900       1.247500      -1.409700    
 H    3.060700       2.587200     -0.6257000    
 H    5.388100       3.266400      -1.213500    
 H    5.160600       3.253300      0.5518000    
 H    6.023400       1.930600     -0.2235000    


%chk=000036028-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036028

0 1
S -4.707083 1.123017 -0.003415
P 2.254615 -1.052849 -0.121564
O 0.984494 -0.586539 -1.267224
O 2.551881 0.406275 0.755846
O 1.978591 -2.226482 0.909066
O -4.830067 1.895029 1.435923
O -5.149495 1.877822 -1.389273
N 3.445712 -1.287563 -1.328609
C 4.614512 -2.189487 -1.115119
C -2.925081 0.502322 -0.284382
C -2.166976 -0.104927 0.745946
C -0.322979 -0.226482 -0.882323
C 5.783781 -1.689958 -1.987144
C 4.259669 -3.668467 -1.394057
C -0.839745 -0.476071 0.411158
C -2.428375 0.761107 -1.574526
C -1.106436 0.391619 -1.883454
C -2.698826 -0.384368 2.140603
C -5.779038 -0.458760 0.111691
C 2.917594 1.656875 0.023508
C 3.442163 2.626566 1.078506
H 4.898212 -2.093511 -0.049230
H 3.154995 -1.114370 -2.295108
H 6.679346 -2.314208 -1.819675
H 5.527113 -1.754086 -3.062283
H 6.034420 -0.641665 -1.749607
H 3.428694 -3.992112 -0.743713
H 5.131409 -4.319406 -1.197587
H 3.959051 -3.806340 -2.449933
H -0.217898 -0.969262 1.166804
H -3.071985 1.262170 -2.306233
H -0.677395 0.574504 -2.872069
H -1.866711 -0.523725 2.849441
H -3.341050 0.438550 2.498153
H -3.297299 -1.316660 2.156411
H -6.809593 -0.086894 0.199001
H -5.617591 -1.021568 -0.817746
H -5.460323 -1.007322 1.007896
H 3.684535 1.416903 -0.738792
H 2.013489 2.048757 -0.479362
H 3.710468 3.588966 0.604363
H 2.672961 2.817980 1.845320
H 4.336838 2.216319 1.576089


