%chk=000133416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133416

0 1
 S    5.340300     -0.8372000      0.7387000    
 O  -0.9871000      0.4503000      0.1760000    
 O   -4.243500      -2.045600      0.4149000    
 O   -4.575800      0.6534000     -0.5703000    
 O   -1.647900      -3.112200     -0.3678000    
 O   0.4900000      -1.354400      0.2647000    
 O   -3.294000       3.059200     -0.2292000    
 O   -1.395500       2.817600       1.009100    
 N    1.511200     -0.4969000     -0.1609000    
 N    5.508300       1.223500     -0.6768000    
 N    6.244000      0.3865000      3.7400000E-02
 C   -3.227200      -1.296300     -0.2535000    
 C   -3.406400      0.1807000      9.6799999E-02
 C   -1.855200      -1.810900      0.1809000    
 C   -2.194200      0.9912000     -0.3512000    
 C  -0.7379000     -0.8763000     -0.2821000    
 C   -2.221200       2.368400      0.2281000    
 C    2.631100     -0.9207000      0.3293000    
 C    3.891500     -0.2463000      7.4100003E-02
 C    4.169400      0.8659000     -0.6583000    
 H   -3.378700      -1.468000      -1.325800    
 H   -3.579000      0.2954000       1.173900    
 H   -1.828000      -1.922100       1.272300    
 H   -2.114000       1.079400      -1.441700    
 H  -0.6517000     -0.8897000      -1.377300    
 H   -4.126300      -1.926100       1.372900    
 H   -4.423700      0.5878000      -1.528500    
 H  -0.7609000      -3.404200     -9.5899999E-02
 H   -3.330800       3.966600      0.1416000    
 H    2.658300      -1.824000      0.9674000    
 H    3.458500       1.470200      -1.205000    


%chk=000133416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133416

0 1
S 5.520120 -0.643300 1.012484
O -1.092834 0.631105 0.443477
O -4.242276 -2.117338 0.051896
O -4.641596 0.667412 -0.674593
O -1.526863 -3.030087 -0.345122
O 0.486276 -1.089223 0.603702
O -2.284820 3.518879 -0.458339
O -3.015189 2.692825 1.590288
N 1.650592 -0.522287 -0.079544
N 5.544274 0.745308 -1.305656
N 6.474113 0.385078 -0.524888
C -3.131687 -1.259600 -0.363142
C -3.501577 0.161600 0.085701
C -1.801996 -1.719370 0.251605
C -2.334745 1.128809 -0.197239
C -0.715316 -0.683548 -0.091270
C -2.593722 2.495666 0.434857
C 2.730253 -0.745518 0.640895
C 4.025277 -0.292830 0.135596
C 4.218416 0.440825 -1.052273
H -3.026821 -1.278235 -1.470765
H -3.715279 0.154100 1.174058
H -1.890952 -1.784023 1.355584
H -2.194945 1.246403 -1.289692
H -0.516110 -0.622617 -1.181761
H -4.022648 -3.048852 -0.206230
H -5.401262 0.048515 -0.525292
H -0.732249 -3.426340 0.092931
H -2.457916 4.401366 -0.029791
H 2.678034 -1.257147 1.611574
H 3.437046 0.767623 -1.735251


