%chk=000173472.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173472

0 1
 S   1.6000000E-03  -1.972100      0.9530000    
 O  -1.9700000E-02  -1.539600       2.343500    
 O   6.7400001E-02  -3.393600      0.6387000    
 N   -3.690700       1.593500      0.6353000    
 N    3.677000       1.611100      0.6368000    
 N   -3.216800       2.632600      0.1261000    
 N    3.198700       2.648200      0.1278000    
 N   -2.788300       3.584800     -0.3346000    
 N    2.766500       3.598700     -0.3330000    
 C   -1.417100      -1.285900      0.2022000    
 C    1.438500      -1.267400      0.1902000    
 C   -1.986300     -0.1218000      0.7188000    
 C    1.980200     -0.1118000      0.7190000    
 C   -1.981200      -1.901700     -0.9151000    
 C    1.983500      -1.891000     -0.9156000    
 C   -3.119500      0.4264000      0.1179000    
 C    3.111200      0.4416000      0.1187000    
 C   -3.114300      -1.353300      -1.515900    
 C    3.114500      -1.337600      -1.515700    
 C   -3.683400     -0.1894000     -0.9995000    
 C    3.678300     -0.1713000     -0.9987000    
 H   -1.552900      0.3727000       1.584600    
 H    1.540900      0.3750000       1.585100    
 H   -1.550700      -2.805200      -1.337500    
 H    1.554900      -2.793500      -1.339700    
 H   -3.552600      -1.831800      -2.386800    
 H    3.555000      -1.813600      -2.387000    
 H   -4.566700      0.2294000      -1.474700    
 H    4.559800      0.2517000      -1.473500    


%chk=000173472-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173472

0 1
S 0.003517 -1.630085 1.112408
O 0.000702 -0.681976 2.447881
O 0.007613 -3.265520 1.155806
N -3.944541 1.728665 -0.198608
N 3.932680 1.750100 -0.202196
N -3.569449 2.584640 0.658022
N 3.544921 2.608917 0.646565
N -3.390843 3.503009 1.385433
N 3.356764 3.530709 1.366899
C -1.510896 -1.111903 0.081987
C 1.515808 -1.104741 0.082457
C -2.086148 0.130444 0.371909
C 2.082660 0.142044 0.369651
C -2.008754 -2.021893 -0.862247
C 2.020663 -2.014382 -0.858319
C -3.239014 0.497578 -0.373406
C 3.234100 0.514712 -0.375096
C -3.157290 -1.629520 -1.591683
C 3.167596 -1.616610 -1.587464
C -3.765029 -0.380272 -1.356738
C 3.766867 -0.362851 -1.355305
H -1.669388 0.760304 1.167245
H 1.660814 0.771444 1.162693
H -1.540964 -3.002320 -0.994070
H 1.559244 -2.998122 -0.987790
H -3.582989 -2.305645 -2.339448
H 3.598652 -2.292005 -2.332823
H -4.654846 -0.070604 -1.912483
H 4.655350 -0.049017 -1.910880


