%chk=000042621.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042621

0 1
 S   2.4200000E-02   3.110200      1.9500000E-02
 O    2.484000       1.151900     -4.8700001E-02
 C   5.6600001E-02   1.372100     -1.4600000E-02
 C    1.199500      0.6486000     -2.6600000E-02
 C    1.756500       3.430900      0.4294000    
 C    2.620100       2.523000     -0.4225000    
 C   -1.283700      0.7586000     -1.3600000E-02
 C    1.196900     -0.8237000     -1.1000000E-03
 C   -1.911300      0.4580000       1.194900    
 C   -1.923400      0.4799000      -1.220900    
 C    1.169800      -1.541800      -1.196500    
 C    1.222100      -1.500200       1.218500    
 C   -3.180000     -0.1220000       1.196100    
 C   -3.192000     -0.1000000      -1.219700    
 C    1.167800      -2.936600      -1.172500    
 C    1.220300      -2.894900       1.242600    
 C   -3.820300     -0.4010000     -1.1200000E-02
 C    1.193100      -3.613100      4.6999998E-02
 H    1.909700       3.235400       1.495700    
 H    1.979100       4.482400      0.2278000    
 H    2.423500       2.634600      -1.496900    
 H    3.672700       2.784700     -0.2679000    
 H   -1.425700      0.6685000       2.144700    
 H   -1.447100      0.7076000      -2.171400    
 H    1.151100      -1.028800      -2.155000    
 H    1.244200     -0.9544000       2.158600    
 H   -3.668900     -0.3568000       2.137000    
 H   -3.690500     -0.3177000      -2.159700    
 H    1.146600      -3.495800      -2.103400    
 H    1.239800      -3.421700       2.192100    
 H   -4.807900     -0.8528000     -1.0400000E-02
 H    1.191500      -4.699000      6.5800004E-02


%chk=000042621-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042621

0 1
S 0.060275 3.118943 0.585258
O 2.401484 1.134513 -0.420951
C 0.012006 1.302037 0.210304
C 1.127395 0.569766 -0.132620
C 1.921341 3.392136 0.482743
C 2.477074 2.578803 -0.690391
C -1.373468 0.766683 0.280112
C 1.220159 -0.913327 -0.200093
C -2.235539 1.104588 1.361239
C -1.889625 -0.048699 -0.767357
C 2.073449 -1.519004 -1.163424
C 0.526839 -1.748857 0.718842
C -3.562277 0.623806 1.405079
C -3.212381 -0.533733 -0.717722
C 2.206876 -2.922300 -1.225315
C 0.659877 -3.150868 0.652746
C -4.056573 -0.201482 0.368893
C 1.496097 -3.746244 -0.321831
H 2.394730 3.086639 1.429011
H 2.060797 4.474276 0.325021
H 1.930015 2.818906 -1.622755
H 3.554846 2.765082 -0.832039
H -1.856179 1.737072 2.171871
H -1.246092 -0.293986 -1.618395
H 2.633172 -0.878524 -1.851556
H -0.106670 -1.297094 1.487988
H -4.208226 0.890763 2.249170
H -3.589359 -1.161577 -1.532964
H 2.865842 -3.372492 -1.976399
H 0.119108 -3.779579 1.368982
H -5.086512 -0.573992 0.402403
H 1.599818 -4.836155 -0.368753


