%chk=000178664.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178664

0 1
 S    1.673800      0.7072000      0.6345000    
 S   -1.684800      0.6811000      0.6613000    
 S   1.9500000E-02  -2.350700      0.7863000    
 P   1.6000000E-03 -0.5046000      0.1181000    
 O  -1.4100000E-02 -0.5113000      -1.517900    
 C    4.426700      0.6111000      0.1647000    
 C   -4.435000      0.5564000      0.2511000    
 C    3.112400     -0.1222000     -0.1028000    
 C   -3.117400     -0.1610000     -4.1700002E-02
 C    5.655300     -9.8800004E-02 -0.4103000    
 C   -5.656400     -0.1196000     -0.3776000    
 C    6.939500      0.6212000     -2.6900001E-02
 C   -6.921200      0.6913000     -0.1388000    
 H    4.373300       1.624000     -0.2548000    
 H    4.560900      0.7225000       1.248700    
 H   -4.584800      0.6204000       1.336500    
 H   -4.373600       1.586900     -0.1228000    
 H    2.944800     -0.2053000      -1.181600    
 H    3.167200      -1.137100      0.3035000    
 H   -3.157000      -1.178400      0.3602000    
 H   -2.969800     -0.2399000      -1.123800    
 H    5.696800      -1.128800     -3.7700001E-02
 H    5.575800     -0.1504000      -1.502100    
 H   -5.502400     -0.2343000      -1.456700    
 H   -5.780500      -1.124400      4.2300001E-02
 H    7.805100      0.1020000     -0.4499000    
 H    7.061700      0.6547000       1.060300    
 H    6.940900       1.648400     -0.4054000    
 H   -7.782800      0.1906000     -0.5914000    
 H   -6.837600       1.689200     -0.5810000    
 H   -7.117800      0.8048000      0.9321000    
 H  -2.5300000E-02  0.3507000      -1.986000    


%chk=000178664-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178664

0 1
S 2.371200 0.732938 -3.014581
S -1.318605 1.470812 -2.696447
S -0.084828 -2.005277 -2.535450
P 0.279928 -0.103088 -3.287745
O 0.292895 0.134679 -5.017665
C 2.312679 0.561100 -0.139906
C -2.036037 0.641876 -0.038409
C 2.807606 -0.166569 -1.397004
C -2.393988 0.438414 -1.516650
C 2.687909 -0.205872 1.151864
C -2.978401 -0.158586 0.893971
C 2.160970 0.496799 2.422038
C -2.607175 0.014514 2.382952
H 2.736662 1.583364 -0.105373
H 1.212809 0.678576 -0.189623
H -0.992113 0.314936 0.132416
H -2.083392 1.717913 0.219279
H 3.909847 -0.234882 -1.434434
H 2.391231 -1.188128 -1.477401
H -2.276188 -0.620093 -1.818163
H -3.425392 0.761377 -1.745924
H 2.278491 -1.234813 1.099900
H 3.790325 -0.308184 1.214478
H -4.025503 0.169029 0.732192
H -2.937625 -1.232631 0.623099
H 2.440517 -0.060483 3.334613
H 1.057418 0.579368 2.400577
H 2.571495 1.520009 2.510780
H -3.284903 -0.564952 3.035819
H -2.668788 1.076105 2.687715
H -1.574174 -0.332343 2.575845
H -0.620069 0.119794 -5.412363


