%chk=000025120.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025120

0 1
 O  -0.4006000       2.339000      0.2953000    
 N    3.206200      0.1835000     -0.3111000    
 C   0.7911000      0.2410000      0.1772000    
 C    2.006800       1.020600     -0.3194000    
 C   0.5742000      -1.005000     -0.6803000    
 C    3.504200     -0.2742000       1.053200    
 C    4.345200      0.9116000     -0.8878000    
 C    4.727900      -1.191700       1.072700    
 C    5.596400      3.3100002E-02 -0.9318000    
 C    5.941300     -0.5106000      0.4501000    
 C  -0.6224000      -1.800700     -0.1729000    
 C  -0.4561000       1.118700      0.1706000    
 C   -1.856600     -0.9447000     -9.3300000E-02
 C   -1.779200      0.4461000      7.5700000E-02
 C   -3.119200      -1.552900     -0.1467000    
 C   -2.947600       1.213900      0.1605000    
 C   -4.281700     -0.7867000     -5.9400000E-02
 C   -4.195400      0.5950000      9.0999998E-02
 C   -5.607400      -1.471000     -0.1289000    
 C   -5.427000       1.435000      0.1853000    
 H   0.9023000     -3.7900001E-02   1.231600    
 H    2.157200       1.918800      0.2950000    
 H    1.808100       1.373800      -1.340500    
 H    1.448100      -1.665400     -0.6685000    
 H   0.4028000     -0.7160000      -1.726200    
 H    2.694100     -0.8753000       1.474300    
 H    3.669700      0.5771000       1.726500    
 H    4.556700       1.824000     -0.3147000    
 H    4.109100       1.218700      -1.913900    
 H    4.504700      -2.114700      0.5224000    
 H    4.957600      -1.482200       2.104300    
 H    6.441200      0.6112000      -1.322800    
 H    5.433700     -0.8034000      -1.623400    
 H    6.270400      0.3129000       1.095800    
 H    6.774900      -1.217800      0.3791000    
 H  -0.4109000      -2.208300      0.8231000    
 H  -0.7939000      -2.646000     -0.8501000    
 H   -3.185500      -2.633000     -0.2604000    
 H   -2.889200       2.292300      0.2859000    
 H   -6.181200      -1.113500     -0.9900000    
 H   -5.499600      -2.555600     -0.2409000    
 H   -6.179900      -1.297400      0.7880000    
 H   -6.036500       1.329500     -0.7181000    
 H   -6.020600       1.151700       1.060500    
 H   -5.186800       2.499000      0.2885000    


%chk=000025120-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025120

0 1
O -0.390194 2.293059 0.486683
N 3.272809 0.178407 -0.139908
C 0.768884 0.159289 0.136001
C 2.026667 0.984025 -0.224862
C 0.527483 -1.020454 -0.835840
C 3.732609 -0.012067 1.260030
C 4.360774 0.738926 -0.983511
C 4.940898 -0.968781 1.325845
C 5.590252 -0.192077 -0.995553
C 6.097588 -0.449640 0.441794
C -0.679118 -1.863663 -0.379924
C -0.480492 1.048639 0.250296
C -1.924109 -1.007677 -0.198522
C -1.812038 0.381881 0.098765
C -3.218640 -1.563759 -0.316114
C -2.989186 1.158539 0.271933
C -4.393931 -0.795680 -0.141404
C -4.276814 0.600769 0.161249
C -5.758047 -1.444083 -0.279061
C -5.511620 1.461499 0.358009
H 0.910165 -0.278628 1.151573
H 2.063323 1.893330 0.418680
H 1.919555 1.339372 -1.268082
H 1.448995 -1.627555 -0.880541
H 0.342416 -0.623320 -1.854771
H 2.899087 -0.422155 1.859913
H 4.015540 0.971765 1.722309
H 4.675293 1.753402 -0.618469
H 3.971280 0.866390 -2.010955
H 4.623547 -1.968538 0.970675
H 5.269699 -1.073947 2.377891
H 6.387761 0.259934 -1.616580
H 5.302847 -1.153438 -1.464214
H 6.488485 0.497816 0.868048
H 6.936566 -1.171129 0.434879
H -0.428917 -2.354825 0.585373
H -0.883582 -2.679866 -1.098174
H -3.315644 -2.630547 -0.556284
H -2.860719 2.222671 0.500692
H -6.352498 -0.970121 -1.083933
H -5.672226 -2.519333 -0.509080
H -6.349960 -1.340486 0.650789
H -6.153525 1.469000 -0.544242
H -6.139901 1.090703 1.190979
H -5.234761 2.504853 0.583117


