%chk=000106501.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106501

1 1
 S   -6.188200     -0.4935000     -0.1311000    
 O  -0.7365000       1.650100     -1.6300000E-02
 O   -6.585600     -0.7275000       1.436400    
 O   -7.092500      0.5188000     -0.6540000    
 O   -6.077300      -1.794300     -0.7702000    
 O    4.110500       3.370200      0.2850000    
 N  -0.9488000     -0.6100000     -0.1137000    
 N    3.504200       1.091000      2.8999999E-02
 C   -2.214300     -6.5099999E-02 -9.6100003E-02
 C   -2.082100       1.323900     -3.6300000E-02
 C  -0.1351000      0.4210000     -6.6000000E-02
 C  -0.6147000      -2.003000     -0.1714000    
 C   -3.470200     -0.6668000     -0.1273000    
 C   -4.578600      0.1919000     -9.5799997E-02
 C   -3.164700       2.192800     -4.1000000E-03
 C   -4.428000       1.586800     -3.5700001E-02
 C    1.270000      0.2663000     -6.5600000E-02
 C  -0.4922000      -2.599600       1.217700    
 C    2.155200       1.283400      1.8100001E-02
 C    4.064200     -0.2576000     -6.3299999E-02
 C    4.417200       2.179800      0.1658000    
 C    4.328000     -0.7459000      -1.307400    
 C    4.283100     -0.9297000       1.101300    
 C    4.862200      -2.031300      -1.395600    
 C    4.817300      -2.215200       1.013000    
 C    5.890200       1.829700      0.1189000    
 C    5.106900      -2.765900     -0.2354000    
 H   -1.402600      -2.533500     -0.7194000    
 H   0.2949000      -2.174000     -0.7547000    
 H   -3.579700      -1.744300     -0.1627000    
 H   -3.044100       3.267700      4.4300001E-02
 H   -5.300600       2.235600     -3.1999999E-03
 H    1.642800     -0.7482000     -0.1172000    
 H   0.3057000      -2.112400       1.787000    
 H  -0.2646000      -3.668100       1.155600    
 H   -1.423600      -2.480000       1.780500    
 H    1.818100       2.312900      8.6900003E-02
 H    4.138000     -0.1744000      -2.209800    
 H    4.058000     -0.5015000       2.072400    
 H   -6.625300      8.8200003E-02   1.989100    
 H    5.087800      -2.460100      -2.367600    
 H    5.007800      -2.787300       1.916400    
 H    6.477700       2.749000      0.2154000    
 H    6.152400       1.371300     -0.8374000    
 H    6.164400       1.178300      0.9517000    
 H    5.522900      -3.766900     -0.3041000    


%chk=000106501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106501

1 1
S -6.395472 -0.151404 -0.109252
O -0.622325 1.452427 0.013865
O -6.573530 -0.211325 1.727633
O -7.321599 1.025791 -0.707627
O -6.416863 -1.652133 -0.708442
O 3.689458 3.360681 0.091292
N -1.048324 -0.763136 -0.153288
N 3.576536 1.017161 -0.018180
C -2.306830 -0.107478 -0.090974
C -2.034622 1.278087 0.007080
C -0.053080 0.179974 -0.076819
C -0.860143 -2.237089 -0.221078
C -3.626600 -0.583689 -0.115849
C -4.604752 0.422415 -0.043032
C -3.015671 2.268449 0.073068
C -4.354446 1.806724 0.049096
C 1.348355 -0.002526 -0.080765
C -0.836499 -2.890686 1.174072
C 2.209025 1.090173 -0.022987
C 4.264794 -0.269926 -0.069447
C 4.331222 2.291091 0.046678
C 4.603888 -0.827415 -1.323788
C 4.574478 -0.938179 1.137591
C 5.276148 -2.070039 -1.365656
C 5.246431 -2.180467 1.084261
C 5.832871 2.171269 0.053232
C 5.598679 -2.745007 -0.164566
H -1.684944 -2.639090 -0.834093
H 0.074079 -2.435264 -0.773084
H -3.907985 -1.637786 -0.201296
H -2.770241 3.330153 0.141485
H -5.190360 2.512014 0.083821
H 1.736274 -1.022692 -0.126444
H 0.000686 -2.512304 1.785631
H -0.712419 -3.981340 1.061785
H -1.776836 -2.712651 1.722965
H 1.823013 2.116653 0.024748
H 4.353622 -0.295263 -2.248216
H 4.302557 -0.489947 2.099654
H -7.525631 -0.427921 1.953594
H 5.551748 -2.505098 -2.331500
H 5.499488 -2.700636 2.013508
H 6.262238 3.181876 0.097495
H 6.200816 1.656124 -0.851612
H 6.186715 1.585422 0.920073
H 6.126252 -3.703392 -0.201531


