%chk=000054679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054679

0 1
 O  -0.2383000      -2.196200     -0.7282000    
 N   -2.513100     -0.6899000      8.1200004E-02
 N    2.757300       2.134200     -0.7085000    
 C   -1.157300     -0.1309000      0.2479000    
 C  -0.1475000      -1.333100      0.4093000    
 C  -0.7401000      0.9173000     -0.8577000    
 C    1.279100     -0.8522000      0.5012000    
 C   0.7018000       1.277100     -0.7181000    
 C    1.582200      0.3862000     -7.2899997E-02
 C   -2.585500      -1.646700      -1.027200    
 C   -1.548100      -2.749300     -0.8430000    
 C   -3.554900      0.3256000     -2.2600001E-02
 C    2.856900      0.9181000     -6.7699999E-02
 C    1.454500       2.359900      -1.108400    
 C    2.339200      -1.560200       1.074500    
 C   -3.477800       1.286600       1.161100    
 C    3.924900      0.2314000      0.5112000    
 C    3.635300      -1.021900       1.080200    
 C   -4.568500       2.344100       1.087800    
 H   -1.094600      0.3828000       1.216900    
 H  -0.3883000      -1.900100       1.319300    
 H   -1.346200       1.826000     -0.7840000    
 H  -0.8901000      0.4998000      -1.859800    
 H   -2.421300      -1.143200      -1.987200    
 H   -3.578900      -2.109100      -1.064400    
 H   -1.765100      -3.363500      3.9500002E-02
 H   -1.553500      -3.412700      -1.713900    
 H   -3.489000      0.8797000     -0.9672000    
 H   -4.537600     -0.1625000     -1.0600000E-02
 H    1.195200       3.269100      -1.632100    
 H    2.164700      -2.535200       1.521800    
 H   -3.577200      0.7353000       2.104100    
 H   -2.533300       1.836300       1.199700    
 H    3.526400       2.770300     -0.8670000    
 H    4.930100      0.6369000      0.5210000    
 H    4.442000      -1.591500       1.536800    
 H   -4.473500       2.943800      0.1768000    
 H   -5.561800       1.884100       1.094900    
 H   -4.501900       3.019000       1.947100    


%chk=000054679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054679

0 1
O -0.234851 -2.236181 -0.789191
N -2.472432 -0.596889 0.021891
N 2.923162 2.132055 -0.754268
C -1.082263 -0.071660 0.141710
C -0.122381 -1.288517 0.355501
C -0.633596 0.865137 -1.042538
C 1.325794 -0.863765 0.478035
C 0.806909 1.263768 -0.842167
C 1.668600 0.365223 -0.122945
C -2.619382 -1.598096 -1.061534
C -1.616257 -2.744677 -0.862109
C -3.547515 0.424416 0.002648
C 2.985912 0.909322 -0.070599
C 1.600920 2.345341 -1.216942
C 2.350717 -1.563611 1.141273
C -3.564155 1.337786 1.245642
C 4.020367 0.206343 0.589580
C 3.676791 -1.030372 1.186340
C -4.817775 2.239068 1.273269
H -1.027973 0.521288 1.075228
H -0.466327 -1.821692 1.269660
H -1.303369 1.743603 -1.097723
H -0.740040 0.307656 -1.994277
H -2.478152 -1.159067 -2.079889
H -3.648193 -2.006593 -1.020748
H -1.860697 -3.294665 0.072734
H -1.628881 -3.440134 -1.718304
H -3.514594 1.064371 -0.917115
H -4.509709 -0.125062 -0.038116
H 1.350835 3.245807 -1.775523
H 2.139959 -2.524760 1.624037
H -3.529526 0.701056 2.150585
H -2.659924 1.977023 1.266478
H 3.698061 2.776150 -0.893335
H 5.045755 0.587850 0.649019
H 4.456798 -1.598133 1.706468
H -4.874599 2.873123 0.367908
H -5.743160 1.634519 1.318734
H -4.808633 2.908369 2.152380


