%chk=000028951.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028951

0 1
 O    2.641200      -2.101000      -1.134800    
 N   -2.909800      0.1730000      0.6009000    
 N   0.6595000     -0.6033000     -4.6999999E-03
 C   -4.133700     -0.6260000      0.5174000    
 C   -3.013100       1.351000     -0.2626000    
 C   -1.747300     -0.6284000      0.2391000    
 C  -0.4776000      0.2084000      0.3282000    
 C   -4.055100      -1.815800       1.465200    
 C   -4.380300      -1.078000     -0.9167000    
 C   -4.229500       2.183500      0.1211000    
 C   -3.067300      0.9368000      -1.727800    
 C    1.942400     -0.1195000     -3.7999999E-02
 C    2.962100      -1.143200     -0.4304000    
 C    2.225800       1.163300      0.2424000    
 C    4.337000      -1.100500      0.1243000    
 C    3.478600       1.867600      0.1657000    
 C    5.058500     -2.4100000E-02  0.4485000    
 C    4.708700       1.356100      0.2623000    
 H   -4.999200     -5.6600001E-02  0.8733000    
 H   -2.166800       2.023400     -8.9699998E-02
 H   -1.769300      -1.153300     -0.7180000    
 H   -1.613100      -1.423100      0.9845000    
 H  -0.3756000      0.6199000       1.340300    
 H  -0.4957000       1.029300     -0.3935000    
 H   -5.048400      -2.266400       1.581500    
 H   -3.395400      -2.611500       1.103300    
 H   -3.725900      -1.512600       2.465700    
 H   -5.041900     -0.4119000      -1.472300    
 H   -5.029300      -1.967500     -0.8474000    
 H   -3.553000      -1.477900      -1.501400    
 H   -4.164100       3.168300     -0.3580000    
 H   -5.182700       1.753600     -0.2028000    
 H   -4.272200       2.360300       1.202000    
 H   -2.450700      0.1104000      -2.079600    
 H   -2.581500       1.775100      -2.257900    
 H   -4.051100      0.9700000      -2.200700    
 H   0.5273000      -1.584800     -0.2277000    
 H    1.423700       1.846000      0.5180000    
 H    4.801600      -2.077800      0.2399000    
 H    3.387300       2.945700      4.5200001E-02
 H    6.065800     -0.1868000      0.8271000    
 H    5.553000       2.040600      0.2127000    


%chk=000028951-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028951

0 1
O 2.533399 -1.859738 -1.481211
N -2.928733 0.183525 -0.090594
N 0.788105 -0.430466 -0.302487
C -4.032990 -0.663535 0.442883
C -3.281107 1.364185 -0.931115
C -1.678417 -0.493573 -0.464061
C -0.446430 0.189855 0.180265
C -3.727192 -1.100403 1.896440
C -4.401071 -1.902020 -0.427616
C -4.012368 2.451595 -0.109234
C -4.068838 1.027425 -2.230665
C 2.064185 -0.108315 0.063322
C 3.049748 -0.989183 -0.667838
C 2.329710 0.918301 0.999513
C 4.480114 -0.897607 -0.499304
C 3.569440 1.392384 1.496022
C 5.264884 -0.057069 0.298808
C 4.877931 0.975095 1.198724
H -4.924837 -0.008712 0.476430
H -2.308763 1.797904 -1.243136
H -1.527422 -0.528430 -1.570123
H -1.707239 -1.544905 -0.123692
H -0.527444 0.105039 1.282763
H -0.454018 1.273240 -0.062181
H -4.564510 -1.688116 2.317677
H -2.820688 -1.733931 1.939129
H -3.556136 -0.215914 2.534007
H -4.612080 -1.616951 -1.472114
H -5.299555 -2.399785 -0.017170
H -3.586583 -2.650242 -0.432633
H -4.147925 3.367039 -0.714527
H -5.016738 2.117006 0.210778
H -3.430445 2.704199 0.794152
H -3.550556 0.251717 -2.824184
H -4.171550 1.928288 -2.864203
H -5.086487 0.664763 -1.996009
H 0.772951 -1.199034 -1.000089
H 1.445725 1.427495 1.404979
H 5.011733 -1.629066 -1.122619
H 3.486032 2.211648 2.224419
H 6.348668 -0.222254 0.215126
H 5.690398 1.500849 1.715969


