%chk=000044965.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044965

0 1
 O  -0.2165000      -1.078600      -1.758400    
 N   -5.448900       1.631200      0.5897000    
 C    2.253600     -0.4878000      0.3296000    
 C    3.772100     -0.5846000      0.1688000    
 C    1.605800      -1.876100      0.3264000    
 C    4.424900      0.7981000      0.2052000    
 C   8.8799998E-02  -1.813400      0.5200000    
 C    5.944800      0.6986000      7.7799998E-02
 C  -0.6341000      -1.083000     -0.6029000    
 C    6.600500       2.068600      0.1467000    
 C   -1.903400     -0.3670000     -0.2880000    
 C   -2.699300     -0.8486000      0.7268000    
 C   -2.232700      0.7489000      -1.024500    
 C   -3.887200     -0.1791000       1.020900    
 C   -3.420600       1.418400     -0.7305000    
 C   -4.247900      0.9544000      0.2924000    
 H    1.845600      0.1268000     -0.4807000    
 H    2.016300      2.2100000E-02   1.271300    
 H    4.011200      -1.080000     -0.7801000    
 H    4.186300      -1.206400      0.9719000    
 H    1.837900      -2.385400     -0.6168000    
 H    2.037200      -2.482400       1.132000    
 H    4.026200       1.415500     -0.6090000    
 H    4.168500       1.299700       1.146300    
 H  -0.3123000      -2.832100      0.5666000    
 H  -0.1142000      -1.318600       1.476300    
 H    6.345900      6.8999998E-02  0.8805000    
 H    6.208100      0.2199000     -0.8725000    
 H    6.384000       2.559800       1.100700    
 H    6.244100       2.715100     -0.6616000    
 H    7.686800       1.974000      5.2200001E-02
 H   -2.450800      -1.738100       1.296300    
 H   -1.595300       1.123700      -1.819600    
 H   -4.525500     -0.5528000       1.817600    
 H   -3.689900       2.301300      -1.304600    
 H   -5.710500       2.453500      6.2199999E-02
 H   -6.048700       1.295800       1.331700    


%chk=000044965-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044965

0 1
O -0.096915 -0.174700 -1.588389
N -6.117743 1.048838 0.409007
C 2.455140 -0.298905 0.424795
C 3.947263 -0.541956 0.107369
C 1.584750 -1.559449 0.218968
C 4.830631 0.705892 0.331816
C 0.095650 -1.338432 0.553234
C 6.323523 0.466900 0.009746
C -0.659995 -0.506450 -0.497751
C 7.199962 1.716071 0.246174
C -2.073672 -0.119070 -0.221454
C -2.766513 -0.486294 0.967064
C -2.778797 0.650002 -1.192202
C -4.100467 -0.105932 1.181679
C -4.108530 1.038837 -0.992613
C -4.797157 0.666372 0.203662
H 2.069728 0.512801 -0.221175
H 2.358107 0.048734 1.475859
H 4.044136 -0.874535 -0.947221
H 4.327663 -1.376777 0.734134
H 1.669820 -1.885169 -0.835443
H 1.977767 -2.381232 0.851677
H 4.450478 1.540486 -0.293620
H 4.734323 1.039958 1.386656
H -0.427381 -2.313936 0.643779
H -0.002932 -0.849527 1.544106
H 6.699638 -0.373066 0.629451
H 6.419371 0.140639 -1.046057
H 7.146504 2.043221 1.302122
H 6.861289 2.561256 -0.382614
H 8.261508 1.520083 0.006228
H -2.260940 -1.079617 1.736180
H -2.243170 0.928428 -2.106256
H -4.614993 -0.400868 2.104430
H -4.630437 1.631794 -1.753842
H -6.614690 1.598791 -0.286138
H -6.612118 0.787212 1.257339


