%chk=000056478.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056478

0 1
 O  -0.2868000      0.1908000     -0.2498000    
 O   0.5346000      -1.044100      -2.010300    
 N   -3.961100      0.1750000      4.2399999E-02
 C   -2.574300      0.4953000      0.3793000    
 C   -4.878300      0.8418000      0.9657000    
 C   -4.172200      -1.271800      6.7900002E-02
 C   -1.618000     -0.1604000     -0.6041000    
 C   -4.679300       2.343400      0.9578000    
 C   -5.586300      -1.633400     -0.3372000    
 C    2.034400      0.1168000     -0.5652000    
 C    2.725400     -0.6381000      0.3615000    
 C    3.979600     -0.2022000      0.7890000    
 C   0.6973000     -0.3210000      -1.039700    
 C    2.547300       1.291000      -1.082000    
 C    4.517600      0.9803000      0.2812000    
 C    2.151200      -1.907000      0.9086000    
 C    3.801400       1.727000     -0.6543000    
 C    4.767600     -0.9831000       1.789400    
 H   -2.320800      0.1922000       1.404100    
 H   -2.376900       1.571100      0.3180000    
 H   -5.916600      0.6792000      0.6585000    
 H   -4.774300      0.4627000       1.990400    
 H   -3.546400      -1.777300     -0.6721000    
 H   -3.942500      -1.704400       1.049600    
 H   -1.825400      0.1766000      -1.627100    
 H   -1.663100      -1.251600     -0.5625000    
 H   -3.779900       2.651100       1.500300    
 H   -4.637100       2.744600     -6.0699999E-02
 H   -5.523900       2.827600       1.461500    
 H   -6.316000      -1.415200      0.4486000    
 H   -5.890300      -1.120700      -1.256400    
 H   -5.650900      -2.710600     -0.5295000    
 H    1.995200       1.877200      -1.810800    
 H    5.493700       1.333700      0.6025000    
 H    1.822600      -1.753900       1.941900    
 H    1.293200      -2.279700      0.3423000    
 H    2.891300      -2.714000      0.8846000    
 H    4.220300       2.647600      -1.050100    
 H    4.174700      -1.177300       2.689200    
 H    5.100500      -1.932800       1.358500    
 H    5.662300     -0.4390000       2.112200    


%chk=000056478-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056478

0 1
O -0.228700 0.098017 -0.170749
O 0.326465 0.466541 -2.390932
N -3.929944 -0.163655 0.352064
C -2.485141 -0.132922 0.685625
C -4.797131 0.412040 1.413741
C -4.381972 -1.498715 -0.127010
C -1.665038 0.162330 -0.576307
C -4.731341 1.950132 1.469397
C -5.609228 -1.422553 -1.055021
C 2.131215 0.258218 -0.762444
C 2.623225 -0.260104 0.480340
C 4.027006 -0.157147 0.747871
C 0.697840 0.272381 -1.203942
C 3.024441 0.827438 -1.712985
C 4.888729 0.432364 -0.209842
C 1.721122 -0.923072 1.509834
C 4.398191 0.917806 -1.441153
C 4.629791 -0.669350 2.048048
H -2.132502 -1.087284 1.144572
H -2.294121 0.665103 1.424395
H -5.838195 0.113398 1.194713
H -4.550678 -0.014952 2.419096
H -3.545676 -1.954979 -0.689318
H -4.595524 -2.186449 0.730528
H -1.886676 1.167325 -0.974083
H -1.843493 -0.573707 -1.380681
H -3.710801 2.311313 1.692895
H -5.037439 2.377920 0.499048
H -5.403071 2.338290 2.257854
H -6.491460 -1.000593 -0.540562
H -5.385938 -0.782695 -1.926240
H -5.884056 -2.431527 -1.415224
H 2.605856 1.190872 -2.656527
H 5.959840 0.504670 0.014657
H 1.141548 -0.168134 2.072560
H 0.977873 -1.581148 1.033114
H 2.304256 -1.515681 2.231596
H 5.079866 1.363205 -2.173260
H 4.148597 -0.216002 2.934363
H 4.525346 -1.766771 2.148423
H 5.706719 -0.434522 2.094747


