%chk=000077483.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077483

0 1
 S    1.270400      -2.700700       1.450600    
 S   -1.270400       2.700700       1.450600    
 O    1.463300      -2.136200     -7.9899997E-02
 O   -1.463200       2.136200     -7.9899997E-02
 O   0.8610000      -4.261600       1.216500    
 O  -0.8610000       4.261600       1.216500    
 O   0.1239000      -2.036100       2.041900    
 O    2.563400      -2.685900       2.109200    
 O  -0.1239000       2.036100       2.041900    
 O   -2.563500       2.686000       2.109100    
 N    1.316800       1.256400     -0.9892000    
 N   -1.316800      -1.256400     -0.9892000    
 C   0.7049000      6.8999998E-02 -0.6887000    
 C  -0.7050000     -6.9100000E-02 -0.6887000    
 C    1.686300     -0.8559000     -0.4163000    
 C   -1.686300      0.8559000     -0.4163000    
 C    2.944600     -0.2065000     -0.5565000    
 C   -2.944600      0.2064000     -0.5566000    
 C    2.684500       1.117600     -0.9165000    
 C   -2.684500      -1.117600     -0.9165000    
 C    4.284000     -0.6191000     -0.4114000    
 C   -4.283900      0.6192000     -0.4113000    
 C    3.700900       2.053200      -1.139400    
 C   -3.701000      -2.053200      -1.139300    
 C    5.311000      0.3059000     -0.6310000    
 C   -5.311100     -0.3059000     -0.6310000    
 C    5.021700       1.621000     -0.9894000    
 C   -5.021700      -1.621000     -0.9894000    
 H   0.8408000       2.115100      -1.230900    
 H  -0.8408000      -2.115100      -1.230900    
 H    4.524700      -1.641200     -0.1332000    
 H   -4.524600       1.641200     -0.1330000    
 H    3.476500       3.077300      -1.418100    
 H   -3.476600      -3.077300      -1.418100    
 H    6.346000     -6.8999999E-03 -0.5205000    
 H   -6.346000      6.8000001E-03 -0.5205000    
 H    5.835000       2.322900      -1.155200    
 H   -5.835000      -2.323000      -1.155100    
 H   0.6942000      -4.781600       2.037400    
 H  -0.6942000       4.781600       2.037400    


%chk=000077483-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077483

0 1
S 1.406234 -1.622247 2.577157
S -1.506894 2.036436 2.471601
O 1.540132 -1.975151 -2.125314
O -1.599762 2.074028 -1.540018
O -0.805421 -1.815770 1.980640
O 0.689948 2.106241 1.957500
O 2.045775 -1.636028 1.083917
O 1.397319 -0.110921 3.201007
O -1.818900 0.557313 1.793030
O -1.428657 1.941487 4.076703
N 1.302852 1.143403 -0.399023
N -1.258807 -1.381948 -0.650320
C 0.719337 0.048858 -0.885208
C -0.704197 -0.194216 -0.896393
C 1.770984 -0.896646 -1.538964
C -1.784657 0.867744 -1.260539
C 3.047515 -0.151630 -1.344962
C -3.047070 0.077485 -1.217806
C 2.720652 1.054763 -0.670199
C -2.686581 -1.248883 -0.859043
C 4.368291 -0.444829 -1.702557
C -4.380396 0.427607 -1.463026
C 3.696523 1.993557 -0.316422
C -3.644339 -2.259939 -0.724499
C 5.374096 0.501583 -1.357488
C -5.366781 -0.590409 -1.334327
C 5.041577 1.696845 -0.676422
C -5.002135 -1.908852 -0.971901
H 0.836819 1.874593 0.941312
H -0.830346 -2.008732 0.978067
H 4.618484 -1.378805 -2.216147
H -4.654080 1.452724 -1.733981
H 3.433724 2.915959 0.209988
H -3.357222 -3.278294 -0.446491
H 6.419313 0.299639 -1.613156
H -6.420485 -0.350542 -1.509490
H 5.834021 2.407269 -0.418361
H -5.779183 -2.674658 -0.876676
H -1.263055 -0.893215 2.112305
H 1.075170 1.343979 2.524606


