%chk=000227331.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227331

0 1
 S   0.5395000      -2.329200      -2.357300    
 S    1.858200       1.160200       2.406200    
 O   -3.841800       2.252700      0.5005000    
 O   -3.425700      -1.899200     -3.8300000E-02
 O  -0.4178000       1.585900      -1.900700    
 O   -5.050000      0.3370000      0.7239000    
 N   -3.948000      0.8327000      0.3999000    
 N   -2.556400       2.599400      0.1005000    
 C   -1.220800      -1.578400     -0.7503000    
 C  -0.1766000      -1.958000      9.9299997E-02
 C   0.5379000       1.378100      0.2240000    
 C    1.918500       1.392400     -0.1682000    
 C   -2.785700      0.3505000     -3.7999999E-02
 C   0.8985000      -2.409000     -0.6726000    
 C   -2.011000       1.455600     -0.1931000    
 C   -2.538900      -1.042600     -0.2547000    
 C    2.761100       1.279100      0.9420000    
 C  -0.5882000       1.476700     -0.6708000    
 C   -1.020800      -1.705300      -2.070900    
 C   0.3688000       1.257500       1.582800    
 C  -3.7000000E-02  -1.961300       1.508200    
 C    2.510800       1.499300      -1.449900    
 C    2.094600      -2.857700     -7.8699999E-02
 C    4.163100       1.270100      0.8047000    
 C    1.148200      -2.405400       2.100500    
 C    3.901200       1.490400      -1.589400    
 C    2.201500      -2.848700       1.313300    
 C    4.716700       1.377100     -0.4725000    
 H   -1.683300      -1.473800      -2.893500    
 H  -0.5490000       1.223400       2.153300    
 H  -0.8537000      -1.624200       2.142000    
 H    1.911700       1.588300      -2.350900    
 H    2.924900      -3.204900     -0.6871000    
 H    4.809200       1.181100       1.673400    
 H    1.242600      -2.404400       3.182700    
 H    4.344000       1.572200      -2.578100    
 H    3.119600      -3.191100       1.782800    
 H    5.796900       1.370700     -0.5909000    


%chk=000227331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227331

0 1
S -1.871126 -4.058196 -2.007956
S 1.399947 5.477882 0.660128
O -3.250670 1.943087 -0.371461
O -0.393959 -0.945367 1.724992
O 1.061074 0.571395 -0.586357
O -4.077229 -0.435803 0.104395
N -3.053473 0.283036 -0.010771
N -1.973151 2.434472 -0.404698
C -1.189702 -2.334537 -0.089612
C -0.697376 -3.632926 0.381120
C 1.046351 2.917943 -0.015640
C 2.481058 3.168387 -0.211851
C -1.717319 0.174418 0.093819
C -0.987867 -4.686098 -0.539348
C -1.083422 1.453338 -0.140362
C -1.036817 -1.073366 0.642795
C 2.844591 4.514011 0.104047
C 0.405812 1.614786 -0.258696
C -1.823180 -2.416026 -1.326772
C 0.366941 4.044865 0.443838
C -0.002029 -3.954079 1.578136
C 3.502821 2.283928 -0.655252
C -0.620763 -6.024782 -0.308281
C 4.161420 4.997926 -0.006840
C 0.370407 -5.290139 1.820540
C 4.824129 2.757010 -0.771061
C 0.065463 -6.319437 0.889624
C 5.156252 4.100775 -0.451478
H -2.260480 -1.604202 -1.906214
H -0.694967 4.133415 0.662918
H 0.237331 -3.157585 2.286621
H 3.244123 1.249674 -0.891606
H -0.855886 -6.814314 -1.028641
H 4.411264 6.033907 0.242421
H 0.906572 -5.539852 2.742156
H 5.610312 2.074767 -1.111513
H 0.365430 -7.351617 1.099257
H 6.190918 4.446505 -0.548299


