%chk=000022339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022339

0 1
 O   0.7447000      0.9887000      -1.523900    
 N   -3.476800      6.1500002E-02 -3.7000000E-02
 N   0.1371000     -0.7856000     -0.1598000    
 N    5.034900     -0.1550000      0.7007000    
 C   -2.069900      7.3500000E-02  0.3623000    
 C   -4.257300      0.9588000      0.8141000    
 C   -4.014100      -1.297200      2.4599999E-02
 C   -1.251700     -0.8306000     -0.5508000    
 C   -3.694100       2.365300      0.7449000    
 C   -5.454700      -1.311100     -0.4494000    
 C    1.029700      0.1347000     -0.6884000    
 C    2.430000      3.3500001E-02 -0.2027000    
 C    3.450200      0.4683000      -1.015400    
 C    2.665800     -0.4920000       1.045600    
 C    4.737600      0.3523000     -0.5168000    
 C    3.988600     -0.5651000       1.451900    
 H   -1.946100     -0.2358000       1.409200    
 H   -1.636300       1.074800      0.2693000    
 H   -5.290100       1.034400      0.4593000    
 H   -4.285800      0.6199000       1.857300    
 H   -3.491800      -1.966500     -0.6641000    
 H   -3.943300      -1.727900       1.031100    
 H   -1.344500     -0.5274000      -1.599800    
 H   -1.519600      -1.886100     -0.4639000    
 H   -2.781100       2.484100       1.336800    
 H   -3.499600       2.681500     -0.2859000    
 H   -4.422400       3.069200       1.164400    
 H   -6.146700     -0.9062000      0.2954000    
 H   -5.582300     -0.7648000      -1.390500    
 H   -5.770100      -2.345200     -0.6310000    
 H   0.4502000      -1.504800      0.4829000    
 H    3.282900      0.8805000      -2.003600    
 H    1.891200     -0.8141000       1.730300    
 H    5.591800      0.6739000      -1.103700    
 H    4.248900     -0.9610000       2.428100    


%chk=000022339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022339

0 1
O 0.451238 1.536695 -0.299902
N -3.547813 -0.237096 0.249170
N 0.165554 -0.764263 -0.447844
N 5.206355 -0.129238 0.567537
C -2.117472 -0.446129 0.573704
C -4.009032 1.159908 0.464584
C -4.463169 -1.265085 0.809826
C -1.280957 -0.654107 -0.719673
C -3.308627 2.181732 -0.451735
C -5.776221 -1.411754 0.015042
C 0.938898 0.361460 -0.238095
C 2.406380 0.135806 0.048050
C 3.290893 1.227494 -0.132271
C 2.952293 -1.088034 0.512991
C 4.665942 1.049772 0.130249
C 4.342315 -1.170321 0.756142
H -1.991358 -1.327464 1.234695
H -1.696825 0.424300 1.116877
H -5.095399 1.191185 0.264778
H -3.868803 1.466121 1.533784
H -3.931079 -2.234696 0.779581
H -4.701297 -1.065056 1.886453
H -1.447703 0.209317 -1.384564
H -1.618535 -1.564675 -1.244513
H -2.215830 2.208808 -0.289911
H -3.496048 1.937562 -1.512928
H -3.701979 3.196211 -0.253214
H -6.392848 -0.496256 0.056369
H -5.555191 -1.627059 -1.045111
H -6.382888 -2.239336 0.427942
H 0.604033 -1.685191 -0.456844
H 2.888395 2.188768 -0.464792
H 2.326938 -1.963850 0.721553
H 5.374237 1.873873 -0.008320
H 4.790904 -2.100905 1.121889


