%chk=000108326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108326

0 1
 S   -4.281900     -0.6164000      7.5199999E-02
 S   -1.858100      0.2800000      -1.556500    
 O   -4.577000      -1.228500      -1.207000    
 O   -4.367600      -1.363900       1.316400    
 O    2.005800       2.487400      3.7300002E-02
 N  -0.6825000      0.4564000      0.7088000    
 N   -1.941500      3.8600001E-02   1.054200    
 N   0.6400000       1.094600      -1.227000    
 N   -5.157800      0.8406000      0.2278000    
 C   -2.634600     -9.0999998E-02 -3.2900002E-02
 C  -0.4181000      0.6766000     -0.6245000    
 C   0.2524000      0.6945000       1.785700    
 C    2.685800      0.2596000     -0.2268000    
 C    1.744700       1.394100     -0.4572000    
 C    2.391500     -0.9648000     -0.7824000    
 C    3.812700      0.4808000      0.5320000    
 C    3.271500      -2.025500     -0.5673000    
 C    4.692700     -0.5799000      0.7470000    
 C    4.422000      -1.833100      0.1972000    
 H   0.5889000       1.732400       1.821700    
 H    1.084400     -9.8999999E-03   1.772000    
 H  -0.2445000      0.5260000       2.750500    
 H    1.516000      -1.158800      -1.392000    
 H    4.042200       1.447300      0.9697000    
 H   -6.138700      0.8285000     -7.9599999E-02
 H   -5.022900       1.377600       1.094100    
 H    3.062600      -3.000900     -0.9970000    
 H    5.588600     -0.4305000       1.342500    
 H    5.107500      -2.658900      0.3643000    


%chk=000108326-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108326

0 1
S -4.995035 -0.243506 0.081584
S -1.997322 -0.530154 -1.058062
O -5.185142 -1.141706 -1.257965
O -5.627878 -0.618291 1.524315
O 1.807270 1.757405 0.588410
N -1.206039 0.482704 1.277827
N -2.597208 0.424166 1.367302
N 0.637206 -0.111708 -0.234688
N -5.471747 1.455963 -0.360124
C -3.111774 -0.057639 0.266175
C -0.598511 0.020081 0.094700
C -0.455345 0.914974 2.473316
C 3.076471 -0.178786 -0.154113
C 1.812741 0.571269 0.119589
C 3.064845 -1.468361 -0.746826
C 4.312649 0.423545 0.200034
C 4.278229 -2.149642 -0.978253
C 5.523260 -0.259026 -0.033553
C 5.508598 -1.547199 -0.622171
H 0.317840 1.641690 2.172559
H 0.023652 0.046360 2.959037
H -1.175865 1.373187 3.164513
H 2.104911 -1.913492 -1.026119
H 4.296654 1.421339 0.650789
H -5.995195 1.446212 -1.248941
H -5.957760 1.906933 0.429483
H 4.268227 -3.143989 -1.437606
H 6.475935 0.207478 0.239567
H 6.450434 -2.076905 -0.804578


