%chk=000155698.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155698

0 1
 S    3.249200      -1.608800     -0.2145000    
 O    2.242000       1.163200     -0.6076000    
 O    3.923000     -0.9837000       1.136600    
 O    3.263300      -3.055800     -6.8200000E-02
 O    3.865600     -0.9707000      -1.365900    
 O   -5.427300      0.5755000      7.1800001E-02
 O    2.380900       1.522700       1.701500    
 N   -3.498500     -0.7755000      0.1563000    
 C   -1.111900     -0.2869000     -0.1079000    
 C  -9.7800002E-02  0.6707000     -0.3470000    
 C    1.243900      0.2566000     -0.3786000    
 C    1.580900      -1.082000     -0.1772000    
 C   -2.453600      0.1271000     -7.6200001E-02
 C  -0.7546000      -1.630300      9.2299998E-02
 C   0.5835000      -2.023800      5.7599999E-02
 C  -0.4549000       2.013900     -0.5476000    
 C   -2.790300       1.466200     -0.2772000    
 C   -1.792800       2.407700     -0.5125000    
 C   -4.869500     -0.5075000      0.2157000    
 C    2.751500       1.752500      0.5579000    
 C   -5.668200      -1.757400      0.4883000    
 C    3.835500       2.726400      0.2024000    
 H   -1.479400      -2.415500      0.2806000    
 H   0.8127000      -3.072800      0.2202000    
 H   0.2955000       2.777600     -0.7389000    
 H   -3.791900       1.867400     -0.2690000    
 H   -2.053900       3.450400     -0.6703000    
 H   -3.246000      -1.746500      0.3019000    
 H    3.525900      -1.287000       1.986700    
 H   -5.514100      -2.478600     -0.3194000    
 H   -6.732100      -1.511700      0.5466000    
 H   -5.354300      -2.199100       1.438300    
 H    4.647800       2.203300     -0.3081000    
 H    4.230900       3.178600       1.116300    
 H    3.427300       3.517500     -0.4314000    


%chk=000155698-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155698

0 1
S 3.262354 -1.706518 -0.260918
O 2.261100 1.189354 -0.475968
O 3.862878 -0.827191 1.270465
O 3.227186 -3.301119 0.019838
O 4.102825 -1.154676 -1.522436
O -5.558588 0.539808 0.069378
O 2.178067 2.059361 1.715325
N -3.610139 -0.779815 0.147623
C -1.207340 -0.274418 -0.068121
C -0.160254 0.717624 -0.237333
C 1.206833 0.277606 -0.267176
C 1.497107 -1.079802 -0.161333
C -2.584143 0.186006 -0.032764
C -0.836576 -1.655212 0.055233
C 0.494631 -2.066317 0.008534
C -0.487212 2.101654 -0.385453
C -2.873275 1.554671 -0.175255
C -1.822944 2.498147 -0.355226
C -4.999086 -0.587046 0.193671
C 2.753909 1.997969 0.624066
C -5.805135 -1.865079 0.411736
C 4.013184 2.682919 0.167618
H -1.588988 -2.440083 0.185674
H 0.782586 -3.117345 0.102413
H 0.312445 2.831458 -0.529973
H -3.914781 1.878415 -0.148691
H -2.082327 3.555471 -0.469643
H -3.307176 -1.746264 0.264485
H 4.777625 -1.179415 1.475192
H -5.192797 -2.780969 0.481849
H -6.522375 -1.980691 -0.418745
H -6.394892 -1.761816 1.338892
H 4.776545 1.915886 -0.049901
H 4.374083 3.365057 0.950206
H 3.832971 3.236071 -0.769761


