%chk=000078890.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078890

0 1
 S   1.3000000E-03   2.566200      0.8718000    
 O    2.258800      -1.861700     -0.2687000    
 O   -2.261600      -1.860100     -0.2638000    
 N    1.204600      0.1595000      0.2858000    
 N   -1.204400      0.1608000      0.2851000    
 C  -7.9999998E-04  -1.948700      0.4095000    
 C   3.9999999E-04  0.9077000      0.4817000    
 C    1.262300      -1.227800      8.1200004E-02
 C   -1.263800      -1.226900      8.2900003E-02
 C    2.495400      0.8602000      0.2216000    
 C   -2.494200      0.8632000      0.2195000    
 C    2.766700       1.303300      -1.201900    
 C   -2.764600       1.304200      -1.204700    
 H  -1.5000000E-03  -2.897700     -0.1394000    
 H  -1.9999999E-04  -2.172000       1.482000    
 H    2.538300       1.708600      0.9083000    
 H    3.293100      0.1778000      0.5390000    
 H   -3.292900      0.1825000      0.5378000    
 H   -2.536400       1.712800      0.9048000    
 H    2.797300      0.4485000      -1.885900    
 H    2.000000       1.991400      -1.570700    
 H    3.733400       1.813600      -1.260400    
 H   -1.996900       1.990800      -1.574400    
 H   -2.796000      0.4484000      -1.887300    
 H   -3.730600       1.815700      -1.264200    


%chk=000078890-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078890

0 1
S 0.001228 2.591243 0.561660
O 2.390181 -1.832577 -0.042409
O -2.391325 -1.830437 -0.044550
N 1.207581 0.158378 0.277143
N -1.207287 0.159395 0.276453
C -0.000810 -2.025165 0.320489
C 0.000439 0.888741 0.373394
C 1.289699 -1.252671 0.152020
C -1.290470 -1.251540 0.150755
C 2.515120 0.892530 0.232483
C -2.514259 0.894522 0.231194
C 2.886033 1.319321 -1.198692
C -2.884067 1.321892 -1.200094
H -0.000849 -2.882115 -0.372612
H -0.001475 -2.465277 1.338942
H 2.419777 1.767927 0.893143
H 3.270077 0.198782 0.634727
H -3.269966 0.201242 0.632848
H -2.418662 1.769695 0.892109
H 2.982145 0.440583 -1.859095
H 2.131861 2.009356 -1.614221
H 3.858035 1.844184 -1.184243
H -2.129139 2.011429 -1.615075
H -2.980500 0.443354 -1.860711
H -3.855669 1.847507 -1.186055


