%chk=000125551.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125551

0 1
 S    3.637700       2.909800      0.8496000    
 O   -4.823700      -1.786100     -0.1946000    
 O   -4.556700       2.037400     -0.8137000    
 O   -3.670500      0.3881000      -2.095900    
 O  -0.9895000       1.486400      0.5952000    
 N   -2.246700     -0.4020000      0.1489000    
 N   4.4399999E-02 -0.5518000      5.8800001E-02
 N    2.342900      -2.513000     -0.4883000    
 N    1.815400       1.013600      0.4116000    
 N    4.498700      -1.953500     -0.3988000    
 N    4.161200      0.3793000      0.1964000    
 C   -3.539400      0.2086000      0.3320000    
 C   -4.608800     -0.7842000      0.7985000    
 C   -4.249000      -1.464500       2.114000    
 C   -3.924400      0.8474000     -0.9898000    
 C   -1.041300      0.2957000      0.2970000    
 C    2.368600      -1.188500     -0.1558000    
 C    1.421500     -0.2328000      0.1073000    
 C    3.717700     -0.8645000     -0.1063000    
 C    3.641900      -2.926700     -0.6232000    
 C    3.150200       1.241600      0.4374000    
 C    2.849800       3.859600     -0.4804000    
 H   -3.425900       1.005600       1.077500    
 H   -5.558600     -0.2494000      0.9195000    
 H   -2.210300      -1.360700     -0.1842000    
 H   -3.370200      -2.109000       2.004700    
 H   -5.068400      -2.113600       2.441900    
 H   -4.054600     -0.7298000       2.901100    
 H  -0.1758000      -1.515900     -0.1772000    
 H   -5.529300      -2.372700      0.1272000    
 H    1.519100      -3.086400     -0.6129000    
 H    3.892000      -3.944900     -0.8853000    
 H   -4.786600       2.459100      -1.669100    
 H    3.197300       3.506700      -1.455000    
 H    3.113000       4.915300     -0.3743000    
 H    1.762100       3.763100     -0.4265000    


%chk=000125551-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125551

0 1
S 3.518478 2.398635 1.604306
O -4.413104 -1.337027 1.240260
O -5.386610 0.103777 -1.766269
O -3.742773 -1.465754 -2.252056
O -0.841066 1.285482 -0.741767
N -2.158089 -0.543363 -0.123055
N 0.133395 -0.860423 -0.415828
N 2.647716 -2.461758 -1.561054
N 1.804852 0.565840 0.505129
N 4.796399 -1.862064 -1.026012
N 4.212513 0.156120 0.289501
C -3.427603 0.123469 -0.356738
C -4.312945 0.107375 0.915988
C -3.706294 0.912984 2.071827
C -4.158027 -0.528830 -1.543816
C -0.949798 0.069264 -0.436810
C 2.538706 -1.317190 -0.757690
C 1.487277 -0.524388 -0.233932
C 3.893870 -0.948007 -0.440033
C 4.017374 -2.733205 -1.682185
C 3.127751 0.871308 0.697752
C 1.787091 3.084390 1.879537
H -3.209469 1.173629 -0.628369
H -5.311943 0.500353 0.645114
H -2.208470 -1.479694 0.283259
H -2.699146 0.539585 2.324153
H -4.343815 0.845218 2.973424
H -3.620991 1.980912 1.801112
H -0.092738 -1.839525 -0.600780
H -4.946165 -1.457007 2.064600
H 1.897659 -2.964527 -2.033011
H 4.386783 -3.576499 -2.262689
H -5.840135 -0.314841 -2.546764
H 1.230722 3.070014 0.931967
H 1.935739 4.114506 2.240572
H 1.256656 2.478540 2.627658


