%chk=000077320.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077320

0 1
 S   -1.719400     -0.6863000      -2.344800    
 P   -1.857200      7.1400002E-02 -0.5549000    
 O   -3.333600      6.6900000E-02  0.1293000    
 O  -0.9717000     -0.6711000      0.6085000    
 O   -1.425300       1.630100     -0.3830000    
 O   0.8526000      -2.439300     -0.7959000    
 O   0.6956000       1.400100       1.773600    
 N   0.3927000     -0.5190000      0.4647000    
 C    2.496300     -0.8175000     -0.2141000    
 C    2.448900      0.3398000      0.5604000    
 C   -4.078000      -1.138100      0.1869000    
 C    1.148600      -1.394600     -0.2502000    
 C    1.070500      0.5161000       1.028600    
 C    3.667000      -1.261100     -0.7923000    
 C    3.570100       1.108100      0.7934000    
 C   -3.294200      -2.173400      0.9791000    
 C   -5.437200     -0.8579000      0.8100000    
 C    4.814800     -0.4945000     -0.5710000    
 C    4.767000      0.6773000      0.2133000    
 C   -2.213200       2.648400     -0.9761000    
 C   -1.594300       3.994600     -0.6656000    
 H   -4.248600      -1.505600     -0.8303000    
 H    3.705500      -2.162400      -1.392500    
 H    3.535100       2.006700       1.397800    
 H   -3.924700      -3.038700       1.211600    
 H   -2.442900      -2.559100      0.4112000    
 H   -2.922000      -1.761400       1.923000    
 H   -6.053200      -1.761400      0.8500000    
 H   -5.971200     -9.5700003E-02  0.2324000    
 H   -5.326600     -0.4623000       1.825700    
 H    5.760700     -0.8048000      -1.007700    
 H    5.676700       1.251700      0.3687000    
 H   -2.253300       2.496600      -2.058700    
 H   -3.230300       2.603000     -0.5753000    
 H   -2.178700       4.805400      -1.109100    
 H   -1.536000       4.151400      0.4166000    
 H  -0.5701000       4.045400      -1.049600    


%chk=000077320-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077320

0 1
S -1.369591 0.286258 -2.178718
P -2.153904 0.767406 -0.331668
O -3.419355 -0.129404 0.364245
O -0.853011 0.662687 1.029816
O -2.810755 2.309740 -0.007961
O 0.166688 -2.064280 0.741785
O 1.242931 2.505219 0.137352
N 0.422755 0.307051 0.591587
C 2.284263 -0.940102 0.037594
C 2.606880 0.430677 -0.142694
C -3.365617 -1.653649 0.317833
C 0.863208 -1.055902 0.491793
C 1.409096 1.266050 0.185585
C 3.224768 -1.950209 -0.209331
C 3.879762 0.830304 -0.573799
C -3.258252 -2.125820 1.768432
C -4.637968 -2.091967 -0.410316
C 4.516459 -1.554411 -0.645881
C 4.838819 -0.186045 -0.825014
C -2.033393 3.518053 -0.465883
C -2.784538 4.715968 0.101881
H -2.462479 -1.950664 -0.250573
H 2.963812 -3.003939 -0.070880
H 4.116937 1.889690 -0.711629
H -3.258755 -3.231128 1.798616
H -2.319609 -1.768257 2.221353
H -4.113663 -1.755433 2.359754
H -4.686731 -3.196016 -0.443453
H -4.654300 -1.709305 -1.444833
H -5.531310 -1.718370 0.119654
H 5.276116 -2.316444 -0.849617
H 5.843084 0.089200 -1.164045
H -0.999621 3.446890 -0.082006
H -2.019938 3.516024 -1.571629
H -2.277617 5.647619 -0.210881
H -3.823951 4.741495 -0.266603
H -2.800817 4.679815 1.203835


