%chk=000160072.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160072

0 1
 O    3.697400     -0.1935000     -0.8589000    
 O    3.951900      0.4603000       1.357900    
 N   -1.786200     -0.5563000     -8.2999999E-03
 N    5.791700      0.2661000     -4.1999999E-02
 C  -0.3955000     -0.4640000     -0.2245000    
 C   -4.043800      0.2948000      4.6799999E-02
 C   0.4190000      -1.575000     -5.7000001E-03
 C   0.1654000      0.7379000     -0.6564000    
 C   -2.728900      0.3989000     -0.1628000    
 C    2.355400     -0.2821000     -0.6507000    
 C    1.794500      -1.484000     -0.2188000    
 C    1.540800      0.8287000     -0.8695000    
 C   -5.020700       1.350700     -0.1329000    
 C   -4.743300     -0.8933000      0.4937000    
 C   -6.214100      0.8243000      0.1860000    
 C   -6.042500     -0.5637000      0.5732000    
 C    4.447900      0.2049000      0.2645000    
 C    6.811000      0.6453000      0.9084000    
 H   -2.111000      -1.464900      0.3045000    
 H  -4.9999999E-03  -2.517600      0.3310000    
 H  -0.4143000       1.634600     -0.8435000    
 H   -2.365500       1.362900     -0.4976000    
 H    2.423400      -2.353300     -4.6999998E-02
 H    1.972200       1.767500      -1.206500    
 H   -4.821500       2.358200     -0.4584000    
 H   -4.312100      -1.854400      0.7193000    
 H   -7.163800       1.334100      0.1647000    
 H   -6.849200      -1.212200      0.8750000    
 H    6.079900      3.1900000E-02 -0.9871000    
 H    7.522200     -0.1799000      0.9931000    
 H    6.380800      0.8663000       1.888000    
 H    7.326200       1.528000      0.5218000    


%chk=000160072-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160072

0 1
O 3.709827 0.631063 -0.237061
O 4.669435 -1.206523 0.955526
N -1.864311 -0.289894 0.219120
N 5.949101 0.475066 -0.072386
C -0.471630 -0.053310 0.100120
C -4.245444 0.169258 -0.138904
C 0.422583 -0.970023 0.712344
C 0.065911 1.058605 -0.603516
C -2.897826 0.462807 -0.292884
C 2.334010 0.311397 -0.066060
C 1.819267 -0.802412 0.638515
C 1.458736 1.234082 -0.682255
C -5.334227 0.988477 -0.692144
C -4.868951 -0.957632 0.568078
C -6.538134 0.391636 -0.340321
C -6.247974 -0.818082 0.442637
C 4.779830 -0.149091 0.289476
C 7.261783 -0.053993 0.306232
H -2.129110 -1.122813 0.751625
H 0.024136 -1.834317 1.258621
H -0.582473 1.791283 -1.091860
H -2.604853 1.352258 -0.858199
H 2.493586 -1.515427 1.113507
H 1.882654 2.086505 -1.221139
H -5.192970 1.902395 -1.274013
H -4.352699 -1.763785 1.096957
H -7.537980 0.749436 -0.595401
H -7.001475 -1.493461 0.855501
H 5.872978 1.334648 -0.616452
H 7.878599 -0.265101 -0.586301
H 7.104176 -0.994122 0.857665
H 7.805748 0.652266 0.960272


