%chk=000039131.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039131

0 1
 O   -1.777100     -0.7489000       2.460800    
 N    1.267100      -1.690000     -0.3456000    
 N   -2.706000      0.4200000     -0.9576000    
 C  -0.3100000     -0.4517000      0.6064000    
 C   -1.586100     -3.8199998E-02   1.224600    
 C   0.8223000      0.3764000      0.3680000    
 C   -2.806800     -0.2990000      0.3104000    
 C    1.797500     -0.4248000     -0.2299000    
 C  -6.0000001E-03  -1.716100      0.1570000    
 C    1.112200       1.735000      0.6042000    
 C    3.053100      6.6600002E-02 -0.6048000    
 C    1.943100      -2.836200     -0.9148000    
 C    2.363900       2.240400      0.2343000    
 C    3.317900       1.417200     -0.3607000    
 C   -2.650900       1.863200     -0.7252000    
 C   -3.834000      8.6000003E-02  -1.827100    
 H   -1.554000       1.013200       1.523000    
 H   -3.723000     -2.8400000E-02  0.8540000    
 H   -2.888300      -1.378400      0.1225000    
 H  -0.5889000      -2.627900      0.1554000    
 H   0.3854000       2.393000       1.071300    
 H    3.800200     -0.5689000      -1.068300    
 H    2.845600      -3.029700     -0.3294000    
 H    1.284000      -3.707300     -0.8777000    
 H    2.195300      -2.607000      -1.953200    
 H    2.593500       3.287100      0.4152000    
 H   -1.940800      -1.683800       2.248700    
 H    4.283800       1.830600     -0.6395000    
 H   -1.712800       2.177000     -0.2632000    
 H   -3.486300       2.218100     -0.1104000    
 H   -2.690000       2.401800      -1.680000    
 H   -3.733800      0.5851000      -2.797500    
 H   -4.795500      0.3754000      -1.387600    
 H   -3.857400     -0.9902000      -2.031500    


%chk=000039131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039131

0 1
O -1.439090 0.929728 2.271691
N 1.198630 -1.138905 -0.969425
N -3.140786 -0.173078 -0.963455
C -0.256348 0.156415 0.243824
C -1.516385 0.778537 0.788063
C 1.104776 0.533361 0.601438
C -2.828388 0.015296 0.476737
C 1.991256 -0.298912 -0.171793
C -0.150750 -0.857040 -0.712616
C 1.660907 1.484194 1.499007
C 3.397527 -0.202601 -0.074805
C 1.707787 -2.129788 -1.917084
C 3.062841 1.588243 1.594600
C 3.921925 0.754365 0.818562
C -3.215647 1.098993 -1.713883
C -4.368623 -0.980907 -1.130573
H -1.607360 1.830876 0.458956
H -3.644234 0.568352 1.007899
H -2.761039 -0.990041 0.938994
H -0.960608 -1.349383 -1.248454
H 1.002656 2.114339 2.105457
H 4.062209 -0.841200 -0.667096
H 2.326676 -2.889733 -1.404236
H 0.860111 -2.640609 -2.400521
H 2.321119 -1.650302 -2.702946
H 3.506808 2.319165 2.279914
H -1.061191 0.088886 2.638490
H 5.008220 0.858904 0.919661
H -2.232559 1.599889 -1.713706
H -3.974605 1.809682 -1.299123
H -3.483674 0.887000 -2.764246
H -4.546216 -1.172428 -2.204078
H -5.282135 -0.487261 -0.711430
H -4.246612 -1.954437 -0.622023


