%chk=000114272.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114272

0 1
 S   9.7800002E-02  -1.780500      -1.145600    
 S    4.534500      -2.698500     -0.7014000    
 S    2.109500       4.064100      0.9345000    
 O    3.052200     -0.4238000      -1.865500    
 O    2.073900       1.284100       1.933800    
 N  -0.8131000      0.2814000      0.3019000    
 C   -1.980800     -0.4352000     -7.7799998E-02
 C   -3.359700     -0.1706000      0.2007000    
 C   -1.656300      -1.583500     -0.8564000    
 C   0.3588000     -0.3018000     -0.2045000    
 C   -4.325900      -1.093800     -0.3096000    
 C   -2.604500      -2.463900      -1.345000    
 C    1.627500      0.1197000     -6.7100003E-02
 C   -3.937200      -2.212700      -1.063400    
 C  -0.8463000       1.466700       1.138100    
 C   -3.891800      0.9252000      0.9335000    
 C   -5.698800     -0.9079000     -7.5199999E-02
 C   -5.263000       1.095400       1.156600    
 C   -6.167100      0.1778000      0.6537000    
 C    2.702700     -0.7008000     -0.7176000    
 C    1.856900       1.373600      0.7250000    
 C    3.323000      -1.784600      5.0799999E-02
 C    1.848400       2.660700      2.2800000E-02
 C    3.044200      -2.159800       1.320900    
 C    1.653200       2.878600      -1.298500    
 C    3.862500      -3.257800       1.714300    
 C    1.718800       4.270300      -1.596200    
 C    4.718800      -3.651200      0.7095000    
 C    1.961600       5.028900     -0.4723000    
 H   -2.326300      -3.332100      -1.933700    
 H   -4.682900      -2.907400      -1.447300    
 H   -1.095100       2.360900      0.5597000    
 H   -1.583700       1.320400       1.930100    
 H  -1.3700000E-02   1.659300       1.793500    
 H   -3.285900       1.740800       1.299300    
 H   -6.428100      -1.615900     -0.4664000    
 H   -5.617300       1.960200       1.710600    
 H   -7.231700      0.3074000      0.8203000    
 H    2.305700      -1.703000       1.966600    
 H    1.469800       2.115500      -2.043700    
 H    3.824900      -3.735000       2.684900    
 H    1.593800       4.693700      -2.584400    
 H    5.443600      -4.452600      0.7365000    
 H    2.059000       6.103600     -0.4101000    


%chk=000114272-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114272

0 1
S -0.394614 -2.140763 -1.362861
S 4.974452 -2.581809 -0.762568
S 1.652277 3.381783 1.220534
O 2.077617 -2.552708 -1.011135
O 2.313471 0.603734 2.208732
N -1.068053 -0.308612 0.461119
C -2.286084 -0.574350 -0.230657
C -3.568836 0.059625 -0.035685
C -2.127827 -1.581296 -1.197665
C 0.066017 -0.933824 -0.066123
C -4.689883 -0.496168 -0.779445
C -3.222798 -2.106101 -1.932688
C 1.391300 -0.724506 0.357063
C -4.492524 -1.580139 -1.701103
C -1.054966 0.233258 1.842918
C -3.807809 1.220913 0.775165
C -5.992770 0.077081 -0.611782
C -5.089083 1.765830 0.899416
C -6.198801 1.179628 0.218711
C 2.415543 -1.678669 -0.115483
C 1.747866 0.553136 1.065139
C 3.825194 -1.662924 0.317396
C 1.441637 1.802349 0.343332
C 4.497908 -1.172464 1.440408
C 1.050214 2.019495 -0.980997
C 5.900514 -1.479778 1.456944
C 0.895041 3.404610 -1.320857
C 6.316172 -2.212857 0.352018
C 1.169880 4.259309 -0.258120
H -3.066503 -2.909721 -2.658880
H -5.359503 -1.972642 -2.243766
H -0.888886 1.323623 1.865957
H -2.014634 -0.006772 2.326095
H -0.244354 -0.255176 2.404606
H -2.978706 1.719753 1.280145
H -6.830161 -0.362291 -1.166503
H -5.240042 2.657659 1.517047
H -7.199625 1.608600 0.333791
H 3.984110 -0.623856 2.230883
H 0.901704 1.199262 -1.687102
H 6.573414 -1.170620 2.260373
H 0.599545 3.757022 -2.311635
H 7.317053 -2.570725 0.113778
H 1.137434 5.348003 -0.240616


