%chk=000050462.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050462

1 1
 N    3.126900      0.3900000      0.2494000    
 C    2.121000     -0.2722000     -0.6269000    
 C   0.7072000     -5.2999998E-03 -9.2900001E-02
 C    4.543700      0.1701000     -0.2932000    
 C    2.868400       1.899300      0.3227000    
 C    3.062300     -0.1792000       1.671400    
 C    2.434400      -1.762900     -0.6555000    
 C  -0.4370000     -0.5843000     -0.9377000    
 C   -1.811900     -0.2494000     -0.4170000    
 C   -2.422000      -1.101000      0.4918000    
 C   -2.443600      0.9050000     -0.8548000    
 C   -3.693800     -0.7913000      0.9737000    
 C   -3.715400       1.214700     -0.3726000    
 C   -4.340300      0.3666000      0.5416000    
 H    2.225500      0.1494000      -1.634700    
 H   0.5758000     -0.4112000      0.9153000    
 H   0.5150000       1.070100     -2.6600000E-02
 H    4.546500      0.3926000      -1.364000    
 H    5.222000      0.8517000      0.2304000    
 H    4.870400     -0.8523000     -8.9800000E-02
 H    3.734100       2.374500      0.7954000    
 H    2.741600       2.280600     -0.6946000    
 H    1.990800       2.097900      0.9426000    
 H    2.097400      3.5999998E-02   2.132200    
 H    3.296400      -1.244800       1.674700    
 H    3.834000      0.3361000       2.255600    
 H    3.454300      -2.012400     -0.9537000    
 H    1.808600      -2.240600      -1.420000    
 H    2.193500      -2.281500      0.2772000    
 H  -0.3468000      -1.675700     -0.9999000    
 H  -0.3449000     -0.2254000      -1.971200    
 H   -1.925500      -2.003800      0.8363000    
 H   -1.964100       1.572800      -1.564800    
 H   -4.180300      -1.451100       1.686100    
 H   -4.218700       2.116600     -0.7085000    
 H   -5.330400      0.6080000      0.9173000    


%chk=000050462-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050462

1 1
N 3.180433 0.426659 0.274400
C 2.086476 -0.399266 -0.541261
C 0.659198 -0.162874 0.010490
C 4.586995 0.043450 -0.186645
C 2.999587 1.919977 -0.001875
C 3.066890 0.175797 1.775494
C 2.435071 -1.896520 -0.599239
C -0.438314 -0.446855 -1.062124
C -1.830585 -0.201891 -0.491821
C -2.506695 -1.224718 0.221287
C -2.454783 1.064022 -0.629188
C -3.778869 -0.987350 0.788139
C -3.727409 1.304847 -0.063498
C -4.391148 0.279973 0.649362
H 2.165021 0.038634 -1.556529
H 0.476545 -0.815810 0.884421
H 0.509101 0.879186 0.348088
H 4.638003 0.104675 -1.284521
H 5.306599 0.748274 0.258293
H 4.821474 -0.976915 0.144211
H 3.736264 2.484002 0.591017
H 3.163895 2.107046 -1.074102
H 1.986036 2.234764 0.279070
H 2.102508 0.554546 2.140670
H 3.142998 -0.902939 1.973304
H 3.889342 0.703135 2.283772
H 3.362965 -2.114008 -1.151264
H 1.621032 -2.410307 -1.137893
H 2.490194 -2.357526 0.403047
H -0.355662 -1.492113 -1.414143
H -0.264074 0.208049 -1.938144
H -2.047251 -2.217062 0.318825
H -1.956198 1.859174 -1.198836
H -4.295695 -1.788595 1.327085
H -4.204725 2.282907 -0.186965
H -5.380119 0.463235 1.082373


