%chk=000073674.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073674

0 1
 S   -2.215900      0.4310000       1.832100    
 S   -3.812300       1.041400      -2.047500    
 O   -1.939000       1.650700       2.564700    
 O   -3.244600     -0.4973000       2.256500    
 O   -4.556600      -1.662400      -1.436700    
 O   0.4638000       1.296600      0.5872000    
 O   -2.764800      -2.088100     -7.0000000E-02
 O    4.657300       1.874200      -1.130900    
 N  -0.7600000     -0.4202000       1.563500    
 N    1.435000     -0.8066000      0.8835000    
 N    3.533000      -1.713300      0.3926000    
 N    3.027000      0.5736000     -0.1289000    
 N    5.190700     -0.3248000     -0.6477000    
 C   -2.816900      0.9876000      0.2858000    
 C   -3.319800      0.1580000     -0.6657000    
 C   -2.816000       2.348000     -7.2499998E-02
 C   -3.337800       2.524500      -1.335200    
 C   0.4210000      0.1320000      0.9646000    
 C   -3.480400      -1.261200     -0.6698000    
 C    2.735600     -0.6397000      0.3538000    
 C    4.749300      -1.481200     -0.1272000    
 C    4.275900      0.6576000     -0.6149000    
 C    5.706900      -2.623700     -0.1258000    
 C   -4.818800      -3.068100      -1.516400    
 C    3.687500       2.911300      -1.095000    
 H   -2.460500       3.173200      0.5304000    
 H  -0.7467000      -1.414900       1.821400    
 H   -3.462300       3.453300      -1.873700    
 H    1.240400      -1.737200       1.242500    
 H    6.249100      -2.650000      0.8240000    
 H    5.177500      -3.573000     -0.2544000    
 H    6.431500      -2.526800     -0.9403000    
 H   -5.035200      -3.467600     -0.5213000    
 H   -5.694600      -3.215300      -2.153800    
 H   -3.965300      -3.585300      -1.964300    
 H    3.404300       3.150600     -6.4300001E-02
 H    2.806300       2.647800      -1.689700    
 H    4.134900       3.806800      -1.536600    


%chk=000073674-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000073674

0 1
S -2.317610 0.394528 2.246777
S -3.897109 1.565351 -1.774767
O -1.913993 1.626308 3.206833
O -3.364536 -0.732267 2.741252
O -3.955026 -1.376009 -1.892793
O 0.344205 1.316152 0.976402
O -2.587291 -1.859028 -0.067797
O 4.254633 1.333229 -1.894396
N -0.814723 -0.569522 1.800533
N 1.400851 -0.811774 1.211326
N 3.519031 -1.659558 0.785058
N 2.758175 0.327805 -0.391352
N 4.985142 -0.570889 -0.813327
C -2.884571 1.142533 0.604952
C -3.301050 0.419034 -0.508131
C -3.000605 2.562041 0.515878
C -3.527382 2.952232 -0.706712
C 0.319157 0.101722 1.279566
C -3.231324 -1.027594 -0.761450
C 2.597051 -0.682822 0.503363
C 4.699082 -1.558701 0.090166
C 3.979005 0.336157 -1.000879
C 5.760893 -2.587349 0.361006
C -3.936182 -2.814916 -2.257574
C 3.193870 2.350683 -2.111112
H -2.693862 3.235097 1.318112
H -1.106577 -1.497208 1.450823
H -3.722707 3.961483 -1.064946
H 1.368128 -1.641075 1.812018
H 6.370652 -2.274684 1.229972
H 5.304257 -3.558654 0.608017
H 6.431203 -2.678216 -0.506878
H -4.334647 -3.418037 -1.425431
H -4.578752 -2.884111 -3.145267
H -2.905263 -3.134237 -2.483942
H 2.882043 2.794815 -1.152229
H 2.316814 1.888000 -2.593070
H 3.668518 3.090980 -2.770005


