%chk=000137418.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137418

0 1
 S   0.3830000      -1.573400     -0.1729000    
 O   0.4594000      -2.078400      -1.533700    
 O   0.6253000      -2.440800      0.9673000    
 N   -1.083700     -0.7536000      3.3300001E-02
 C   -1.512600      0.2611000     -0.9816000    
 C   -2.808400       1.350500      0.6221000    
 C   -1.611800       1.619800     -0.2954000    
 C   -2.969300     -2.9700000E-02  -1.379800    
 C   -3.824500      0.7293000     -0.3469000    
 C   -2.394300      0.3314000       1.660700    
 C   -1.527200     -0.6547000       1.390800    
 C    1.709100     -0.3691000     -7.0900001E-02
 C    2.257800     -0.1104000       1.159000    
 C    2.120300      0.2433000      -1.227100    
 C    3.289000      0.8256000       1.238200    
 C    3.151700       1.179000      -1.147900    
 C    3.736100       1.470200      8.4799998E-02
 H  -0.8531000      0.2688000      -1.852300    
 H   -3.177600       2.261800       1.100800    
 H   -1.838400       2.413300      -1.017200    
 H  -0.7030000       1.894700      0.2515000    
 H   -3.199300      -1.100400      -1.387400    
 H   -3.177300      0.3655000      -2.381000    
 H   -4.393600       1.517500     -0.8543000    
 H   -4.544000      6.8599999E-02  0.1488000    
 H   -2.802000      0.4289000       2.662200    
 H   -1.198800      -1.368500       2.132600    
 H    1.916600     -0.5924000       2.068700    
 H    1.673900      3.5900000E-02  -2.193500    
 H    3.742100       1.054800       2.198300    
 H    3.498500       1.682600      -2.045600    
 H    4.538300       2.199800      0.1467000    


%chk=000137418-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137418

0 1
S 0.530619 -1.687266 -0.384942
O 0.554129 -2.005914 -1.983378
O 0.752803 -2.826807 0.755625
N -1.315925 -1.009545 -0.040309
C -1.785376 -0.054114 -1.098618
C -2.619197 1.496708 0.490407
C -1.573328 1.418287 -0.654171
C -3.344381 -0.181338 -1.175516
C -3.899239 0.934829 -0.223760
C -2.178643 0.552996 1.599311
C -1.491642 -0.598181 1.296090
C 1.834032 -0.335426 -0.070851
C 2.351718 -0.206253 1.228743
C 2.228913 0.464701 -1.156263
C 3.317753 0.803015 1.451153
C 3.197003 1.466739 -0.913233
C 3.733109 1.637143 0.385893
H -1.294144 -0.344874 -2.041644
H -2.775464 2.516482 0.880729
H -1.836488 2.107576 -1.477329
H -0.542327 1.631799 -0.323497
H -3.657521 -1.194779 -0.877045
H -3.675832 -0.019733 -2.216877
H -4.384791 1.743241 -0.803034
H -4.636221 0.544348 0.498241
H -2.483185 0.743176 2.634351
H -1.143180 -1.310640 2.051138
H 2.033628 -0.888893 2.023210
H 1.817077 0.286214 -2.155105
H 3.747894 0.929887 2.450120
H 3.536272 2.103609 -1.736899
H 4.484136 2.414013 0.565760


