%chk=000129761.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129761

0 1
 S    5.479500      0.5629000      0.4647000    
 O    4.619900     -0.2305000     -0.6912000    
 O    7.004100      0.5699000     -0.1186000    
 O    5.021500       1.938400      0.5328000    
 O    5.476600     -0.2614000       1.659400    
 N   -4.164000       1.192100      0.1035000    
 N   -5.001600     -0.8684000      0.2203000    
 N   -2.891400      -2.055500      4.5299999E-02
 N   -6.498500       1.010100      0.3253000    
 C   -3.087400      0.3519000      1.8700000E-02
 C  -0.9404000     -0.5959000     -0.1640000    
 C   -1.718400      0.5576000     -0.1129000    
 C   -3.636400     -0.9231000      9.3900003E-02
 C   0.4957000     -0.5016000     -0.3003000    
 C   -5.285500      0.4159000      0.2229000    
 C   -1.561100      -1.837900     -8.2699999E-02
 C   -4.109400       2.637200      7.2400004E-02
 C    1.063200      0.5762000     -0.9805000    
 C    1.315500      -1.488400      0.2486000    
 C    2.448800      0.6673000      -1.112000    
 C    2.701300      -1.397400      0.1173000    
 C    3.268100     -0.3194000     -0.5630000    
 H   -1.307800       1.559100     -0.1422000    
 H   -1.002000      -2.767800     -0.1500000    
 H   -3.080000       2.980500     -4.1700002E-02
 H   -4.703500       2.986400     -0.7762000    
 H   -4.517200       3.017400       1.012800    
 H   0.4640000       1.352400      -1.448600    
 H   0.9209000      -2.329700      0.8118000    
 H    2.883600       1.505200      -1.650100    
 H    3.333800      -2.167100      0.5511000    
 H   -6.629700       2.016400      0.3199000    
 H   -7.346700      0.4598000      0.4152000    
 H    7.325800     -0.2948000     -0.4665000    


%chk=000129761-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129761

0 1
S 5.944176 0.576242 0.845586
O 4.657305 0.025457 -0.970734
O 7.217202 -0.463242 -0.006136
O 6.700879 1.963776 1.210002
O 5.281543 -0.270998 2.070470
N -4.306337 1.203873 0.068526
N -5.046843 -0.967852 0.391116
N -2.852732 -2.065139 0.195920
N -6.674870 0.798717 0.444288
C -3.170186 0.376291 -0.012904
C -0.941434 -0.515508 -0.181049
C -1.811903 0.622214 -0.199607
C -3.666370 -0.971859 0.192677
C 0.508735 -0.373981 -0.372940
C -5.392067 0.341670 0.309524
C -1.532460 -1.815758 0.014476
C -4.365416 2.661438 -0.064285
C 1.053784 0.743178 -1.096343
C 1.426641 -1.337235 0.165966
C 2.427726 0.894688 -1.271102
C 2.805060 -1.203344 -0.005272
C 3.345043 -0.090175 -0.749856
H -1.407952 1.633964 -0.307336
H -0.896330 -2.706447 -0.022860
H -3.356267 3.049248 -0.270576
H -5.018974 2.960273 -0.904853
H -4.723941 3.135366 0.868367
H 0.375586 1.472757 -1.551632
H 1.043728 -2.170415 0.763496
H 2.847066 1.738858 -1.828311
H 3.505098 -1.918372 0.437389
H -6.921331 1.782715 0.396724
H -7.399168 0.105043 0.615917
H 6.686306 -0.897644 -0.739245


