%chk=000043452.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043452

0 1
 O    1.765100      0.7836000      0.6596000    
 O    2.939000      0.1892000      -1.222400    
 N   -1.382800      0.7923000     -0.5715000    
 N    3.848300     -2.2000000E-02  0.9023000    
 C   -2.392100     -0.1216000     -2.9200001E-02
 C   0.6468000       1.166900     -0.1661000    
 C  -0.6791000       1.463600      0.5487000    
 C  -0.1367000      3.6600001E-02 -0.8485000    
 C   -3.448800      0.6608000      0.7990000    
 C   -3.123600     -0.8210000      -1.208300    
 C   -1.734200      -1.138300      0.8225000    
 C   -4.175600       1.782500      5.9599999E-02
 C   -4.180700      -1.848900     -0.8070000    
 C    2.861500      0.3049000     -3.8999999E-03
 C   -1.202100      -1.963500       1.514300    
 C    5.136800     -0.5567000      0.5266000    
 C    5.258200     -0.7084000     -0.9756000    
 H   0.9281000       1.977300     -0.8546000    
 H  -0.7261000       1.030000       1.554900    
 H  -0.9101000       2.530800      0.6391000    
 H   7.1300000E-02 -3.9500002E-02  -1.924300    
 H   9.1300003E-02 -0.9526000     -0.4475000    
 H   -4.198800     -2.6600000E-02   1.210600    
 H   -2.985700       1.102100       1.691900    
 H   -3.580000     -8.4700003E-02  -1.880800    
 H   -2.385000      -1.355500      -1.823200    
 H   -4.835200       2.313300      0.7547000    
 H   -3.479100       2.515600     -0.3572000    
 H   -4.803100       1.396300     -0.7481000    
 H   -3.775400      -2.627400     -0.1547000    
 H   -5.034600      -1.381800     -0.3090000    
 H   -4.566200      -2.344500      -1.704800    
 H  -0.7291000      -2.694500       2.127200    
 H    3.658600      0.1212000       1.889500    
 H    5.902200      0.1229000      0.9136000    
 H    5.252500      -1.522700       1.027400    
 H    4.548500      -1.432400      -1.389400    
 H    5.211900      0.2485000      -1.505700    
 H    6.252300      -1.116200      -1.198200    


%chk=000043452-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043452

0 1
O 1.812384 0.434893 0.568969
O 3.105953 0.550111 -1.404861
N -1.429452 0.568520 -0.302143
N 3.982229 -0.180963 0.684817
C -2.616127 -0.220378 0.151616
C 0.666936 0.932100 -0.196592
C -0.545180 1.264456 0.711356
C -0.227618 -0.132627 -0.901568
C -3.629033 0.769961 0.817226
C -3.210304 -0.925378 -1.109077
C -2.221023 -1.248125 1.164815
C -4.176715 1.851450 -0.135854
C -4.491416 -1.742287 -0.850453
C 3.020654 0.283780 -0.180308
C -1.803273 -2.055378 2.000916
C 5.400001 -0.503137 0.404184
C 5.858065 -0.296949 -1.050436
H 0.990153 1.742010 -0.868545
H -0.467173 0.725688 1.679463
H -0.785065 2.327300 0.879784
H -0.208651 -0.166184 -2.001938
H -0.043957 -1.142047 -0.474325
H -4.457354 0.181134 1.252678
H -3.115806 1.252584 1.671888
H -3.395858 -0.140592 -1.865249
H -2.433277 -1.593853 -1.527875
H -4.767885 2.596216 0.427809
H -3.349337 2.372421 -0.647766
H -4.836555 1.420367 -0.910562
H -4.325317 -2.513001 -0.076151
H -5.328703 -1.100986 -0.520067
H -4.810741 -2.255538 -1.775707
H -1.467085 -2.770317 2.729241
H 3.657527 -0.316835 1.644421
H 6.030218 0.119142 1.072101
H 5.572199 -1.561039 0.689849
H 5.286971 -0.923815 -1.752739
H 5.741174 0.749436 -1.372173
H 6.926740 -0.572540 -1.115243


