%chk=000078470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078470

0 1
 S    4.430700     -0.9194000      2.3200000E-02
 O   -1.001700      -2.176500      0.3799000    
 O   -5.086300     -0.8697000     -0.7060000    
 N   0.6378000     -0.5501000      0.2160000    
 N    1.755700      -1.314800      0.1912000    
 N   0.2026000       1.754500      0.1101000    
 N    2.406600      0.8503000      3.9400000E-02
 C   -1.626000      0.1445000      0.3053000    
 C   -3.067800     -0.2478000      0.4480000    
 C  -0.6484000      -1.006000      0.3075000    
 C   -1.142800       1.411400      0.2029000    
 C    1.028200      0.7639000      0.1211000    
 C   -3.737300     -0.4645000     -0.8991000    
 C    2.777100     -0.4104000      8.6199999E-02
 C   -2.047400       2.616700      0.1536000    
 C    5.119100      0.4178000     -0.9790000    
 H   -3.626000      0.5035000       1.020200    
 H   -3.169000      -1.153500       1.059800    
 H    1.766000      -2.322900      0.2529000    
 H   -3.226000      -1.247100      -1.469800    
 H   -3.737800      0.4546000      -1.494400    
 H   -3.103400       2.373400      1.7100001E-02
 H   -1.764300       3.263800     -0.6845000    
 H   -1.949400       3.194800       1.078500    
 H   -5.474800     -0.9979000      -1.588200    
 H    4.583600      0.5024000      -1.928700    
 H    6.169400      0.2015000      -1.192200    
 H    5.066500       1.369600     -0.4435000    


%chk=000078470-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078470

0 1
S 4.463859 -1.151760 -0.458306
O -0.980445 -2.206518 0.363272
O -5.227853 -0.788906 -0.407921
N 0.606026 -0.528481 0.017188
N 1.719599 -1.358098 -0.065646
N 0.190576 1.822332 -0.143951
N 2.432911 0.781948 -0.354445
C -1.636735 0.181201 0.269287
C -3.098682 -0.135193 0.510533
C -0.738710 -0.961256 0.233181
C -1.147110 1.498401 0.073826
C 1.043658 0.796100 -0.163471
C -3.811527 -0.609508 -0.770615
C 2.798164 -0.512839 -0.288427
C -2.078303 2.693555 0.100423
C 5.354174 0.492306 -0.713551
H -3.639195 0.742214 0.903183
H -3.183200 -0.946521 1.255811
H 1.604970 -2.367476 0.044139
H -3.358325 -1.561747 -1.113664
H -3.706640 0.152012 -1.573668
H -2.949693 2.553363 -0.563563
H -1.520521 3.586845 -0.217867
H -2.469285 2.871630 1.120112
H -5.702655 -1.241931 -1.148858
H 4.958689 0.982147 -1.612955
H 6.415717 0.228690 -0.832788
H 5.195438 1.129591 0.166240


