%chk=000070585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070585

0 1
 S   0.5968000      -1.078000     -0.8813000    
 O    3.213900      0.4347000      -2.429300    
 N  -0.7242000       1.176700     -0.2907000    
 C   -1.703500      0.1505000     -0.1953000    
 C   -3.096400      0.2285000      0.1254000    
 C   -1.144600      -1.129700     -0.4757000    
 C   -3.835800     -0.9956000      0.1607000    
 C   0.5349000      0.6795000     -0.6617000    
 C   -1.875800      -2.303200     -0.4404000    
 C   -3.220400      -2.226600     -0.1174000    
 C   -3.846100       1.401600      0.4124000    
 C   -1.007000       2.572000     -1.0500000E-02
 C   -5.205900      -1.004600      0.4725000    
 C    1.673800       1.362300     -0.8692000    
 C   -5.211100       1.374300      0.7200000    
 C   -5.891300      0.1707000      0.7519000    
 C    2.908000      0.6385000      -1.259700    
 C    3.807500      0.1810000     -0.1730000    
 C    3.861000      0.9061000       1.000700    
 C    4.565200     -0.9566000     -0.3670000    
 C    4.707300      0.4758000       2.022700    
 C    5.411400      -1.387100      0.6549000    
 C    5.482500     -0.6708000       1.849700    
 H   -1.421200      -3.264600     -0.6567000    
 H   -3.794900      -3.151400     -8.8200003E-02
 H   -3.400600       2.386800      0.4041000    
 H  -0.1155000       3.203300     -7.1599998E-02
 H   -1.381700       2.696900       1.010600    
 H   -1.712800       2.979600     -0.7411000    
 H   -5.761400      -1.941000      0.4993000    
 H    1.752300       2.438800     -0.7856000    
 H   -5.735700       2.301600      0.9322000    
 H   -6.950000      0.1440000      0.9897000    
 H    3.282000       1.810400       1.159900    
 H    4.516500      -1.527100      -1.289900    
 H    4.765500       1.035200       2.951800    
 H    6.014200      -2.280500      0.5209000    
 H    6.141800      -1.005700       2.645200    


%chk=000070585-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070585

0 1
S 0.795438 -0.938645 0.103629
O 3.691986 2.128464 -1.809379
N -0.734069 1.220566 -0.172929
C -1.655098 0.169690 0.086146
C -3.098580 0.229306 0.103440
C -1.003913 -1.055958 0.326400
C -3.802371 -0.971871 0.534699
C 0.615509 0.838254 -0.310228
C -1.693648 -2.229562 0.718134
C -3.081513 -2.171022 0.849330
C -3.889450 1.349220 -0.329675
C -1.055398 2.656661 -0.068364
C -5.234833 -0.957178 0.602704
C 1.618284 1.689318 -0.746066
C -5.285221 1.318845 -0.271271
C -5.969009 0.165922 0.221937
C 3.046111 1.432222 -0.948745
C 3.792594 0.393478 -0.147557
C 3.564651 0.214062 1.241972
C 4.831254 -0.338529 -0.780370
C 4.353414 -0.693334 1.982972
C 5.604676 -1.260390 -0.045388
C 5.367720 -1.439764 1.339498
H -1.144497 -3.153937 0.919776
H -3.642050 -3.056320 1.168015
H -3.410396 2.232421 -0.755471
H -0.181375 3.181144 0.351709
H -1.903403 2.794780 0.618443
H -1.293949 3.105274 -1.050374
H -5.747586 -1.863317 0.946213
H 1.303197 2.645801 -1.181143
H -5.859951 2.183513 -0.620167
H -7.062632 0.159392 0.275047
H 2.787924 0.802277 1.743463
H 5.022790 -0.159741 -1.843614
H 4.180356 -0.815237 3.058125
H 6.396065 -1.831026 -0.544068
H 5.975673 -2.148479 1.913460


