%chk=000081430.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081430

0 1
 O    3.264800       1.389500      0.3335000    
 N   -1.336600     -5.0099999E-02  2.5900001E-02
 N   -4.150400      0.4218000     -6.8899997E-02
 C   -1.884300      0.9534000     -0.8970000    
 C   -2.271600      -1.095100      0.4570000    
 C   -3.209600       1.500300     -0.3678000    
 C   -3.583900     -0.4754000      0.9367000    
 C   3.2900002E-02 -0.3298000     -4.2900000E-02
 C   0.9917000      0.6786000      0.1808000    
 C   0.4949000      -1.628500     -0.3368000    
 C    2.356700      0.3999000      0.1135000    
 C    1.860000      -1.907000     -0.4042000    
 C    2.790900     -0.8930000     -0.1791000    
 C    4.644400       1.035300      0.2492000    
 H   -2.031700      0.4930000      -1.882600    
 H   -1.196500       1.795800      -1.033000    
 H   -1.846700      -1.677900       1.283600    
 H   -2.471000      -1.782100     -0.3753000    
 H   -3.037000       2.105600      0.5311000    
 H   -3.651900       2.162300      -1.120200    
 H   -4.302500      -1.274300       1.149900    
 H   -3.423400      7.0299998E-02   1.875200    
 H   -5.017900      0.8216000      0.2878000    
 H   0.6704000       1.689900      0.4225000    
 H  -0.2006000      -2.441200     -0.5303000    
 H    2.197400      -2.913400     -0.6350000    
 H    3.835000      -1.178500     -0.2477000    
 H    4.919300      0.3025000       1.015400    
 H    5.223800       1.942000      0.4519000    
 H    4.913500      0.7026000     -0.7591000    


%chk=000081430-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081430

0 1
O 3.247608 1.440161 -0.023106
N -1.349370 -0.068943 0.023129
N -4.153776 0.528869 -0.082067
C -1.854045 1.124744 -0.701209
C -2.353262 -1.149155 0.126962
C -3.169404 1.631244 -0.083128
C -3.671588 -0.613354 0.720343
C 0.029863 -0.391871 -0.015220
C 1.017164 0.633894 -0.025042
C 0.483618 -1.750543 -0.003297
C 2.392433 0.319152 -0.018733
C 1.860669 -2.041476 0.013480
C 2.841955 -1.025039 0.004848
C 4.687555 1.185416 0.017009
H -2.040654 0.868568 -1.768781
H -1.104772 1.929425 -0.669326
H -1.971205 -1.935235 0.799767
H -2.559996 -1.605106 -0.868580
H -2.951543 2.016512 0.943920
H -3.557777 2.466514 -0.693966
H -4.427379 -1.419708 0.699634
H -3.481734 -0.337764 1.787769
H -5.098819 0.833404 0.181325
H 0.751795 1.693915 -0.004080
H -0.227464 -2.579436 -0.035644
H 2.179825 -3.090418 0.017903
H 3.904372 -1.281237 0.010113
H 4.976573 0.637960 0.935633
H 5.156285 2.181027 0.016765
H 5.023173 0.616578 -0.872321


