%chk=000226725.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226725

0 1
 S   -6.411400     -0.5484000     -0.1159000    
 O    3.749700       1.753600     -0.5346000    
 O    2.944100      -1.783100     -0.9719000    
 O    1.875700      0.6918000       1.517600    
 O    1.555400       2.410400     -3.7200000E-02
 O    3.787100      -2.404100       1.127300    
 O   0.3241000     -0.2012000      -1.392200    
 O   -6.516200      -1.753900     -0.9263000    
 O   -7.037700     -0.5036000       1.198000    
 N  -0.6688000      0.8073000      0.4875000    
 N   -6.966100      0.7822000      -1.033200    
 C    2.868900      0.6395000     -0.7359000    
 C    3.587200     -0.6483000     -0.3827000    
 C    1.682300      0.9924000      0.1465000    
 C    3.572000     -0.9897000       1.091900    
 C    2.241500     -0.6602000       1.756200    
 C    2.881400       2.875400     -0.3270000    
 C    3.374400      -2.889500     -0.1623000    
 C   0.3763000      0.4544000     -0.3567000    
 C    3.403100       3.682900      0.8544000    
 C    2.833700       3.720800      -1.594200    
 C    2.218300      -3.868200     -1.7000000E-03
 C    4.567300      -3.575100     -0.8254000    
 C   -2.038900      0.4840000      0.3434000    
 C   -2.943900      0.9284000       1.293300    
 C   -2.446800     -0.2700000     -0.7448000    
 C   -4.294500      0.6097000       1.151400    
 C   -3.797300     -0.5886000     -0.8868000    
 C   -4.721100     -0.1488000      6.1299998E-02
 H    2.603700      0.6417000      -1.800900    
 H    4.619600     -0.6218000     -0.7543000    
 H    4.382800     -0.4734000       1.617400    
 H    1.433800      -1.326700       1.436700    
 H    2.330400     -0.8028000       2.839000    
 H    4.418900       4.047400      0.6692000    
 H    2.749200       4.533100       1.074700    
 H    3.443500       3.063200       1.757300    
 H    3.832000       4.071400      -1.876000    
 H    2.447100       3.134100      -2.435400    
 H    2.169800       4.583000      -1.471700    
 H    1.892200      -4.258600     -0.9716000    
 H    2.493200      -4.704600      0.6493000    
 H    1.350400      -3.378600      0.4514000    
 H    4.316100      -3.918900      -1.834200    
 H    5.413500      -2.885700     -0.9198000    
 H    4.915000      -4.426500     -0.2307000    
 H  -0.4370000       1.362200       1.308800    
 H   -2.621900       1.521000       2.145100    
 H   -1.793500     -0.6449000      -1.518600    
 H   -4.997300      0.9681000       1.898200    
 H   -4.109500      -1.175000      -1.746500    
 H   -7.215800      0.6133000      -2.015200    
 H   -7.570100       1.467000     -0.5625000    


%chk=000226725-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226725

0 1
S -6.643957 -0.457305 -0.220401
O 3.866400 1.733192 -0.463123
O 3.125508 -1.826195 -0.841188
O 1.703028 0.715077 1.591279
O 1.721873 2.524942 0.114883
O 3.668598 -2.489676 1.372393
O 0.207791 0.485176 -1.736077
O -6.858238 -1.338823 -1.573700
O -7.206230 -0.900695 1.244060
N -0.703202 0.609484 0.442536
N -7.369850 1.206282 -0.553994
C 2.927712 0.604010 -0.636645
C 3.661119 -0.642557 -0.131365
C 1.675499 1.082365 0.158555
C 3.444028 -1.028438 1.350025
C 2.006012 -0.724460 1.798288
C 3.064916 2.966635 -0.439726
C 3.544203 -3.003133 -0.043391
C 0.318230 0.670031 -0.491496
C 3.705545 3.941721 0.539169
C 2.823181 3.515214 -1.849600
C 2.435803 -4.048328 -0.124056
C 4.923271 -3.512453 -0.480073
C -2.080526 0.362722 0.233106
C -2.932506 0.404949 1.372561
C -2.617353 0.067018 -1.051206
C -4.312082 0.167742 1.240005
C -3.999288 -0.173175 -1.187288
C -4.809525 -0.112109 -0.043246
H 2.643250 0.463789 -1.696953
H 4.738973 -0.511774 -0.348911
H 4.179091 -0.556811 2.021331
H 1.293003 -1.360076 1.235729
H 1.878964 -0.896430 2.877486
H 4.708994 4.230188 0.181438
H 3.086416 4.849953 0.627176
H 3.795273 3.469705 1.529980
H 3.777946 3.843717 -2.294979
H 2.368367 2.746660 -2.497195
H 2.135120 4.376314 -1.803852
H 2.313038 -4.391645 -1.165608
H 2.689254 -4.915365 0.508835
H 1.480344 -3.622073 0.221902
H 4.869985 -3.932587 -1.499153
H 5.665408 -2.696323 -0.470095
H 5.268020 -4.297886 0.213956
H -0.386157 0.802316 1.402917
H -2.513904 0.625911 2.361393
H -1.952995 0.029545 -1.916258
H -4.981093 0.174978 2.105863
H -4.432351 -0.426325 -2.160086
H -7.782506 1.187294 -1.501994
H -8.066500 1.395809 0.186493


