%chk=000062518.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062518

0 1
 O   -4.365700      0.5359000     -0.6216000    
 N    2.485500     -0.8018000     -0.6083000    
 C   0.5065000       1.273400     -7.4000000E-03
 C    1.558100      0.7936000       1.046300    
 C    1.898100     -0.6835000      0.7417000    
 C    1.086200       1.081900      -1.433300    
 C  -0.7593000      0.3964000      0.1101000    
 C   0.6461000      -1.539400       1.022900    
 C    1.610500     -0.3384000      -1.686300    
 C  -0.6641000     -0.9337000      0.5777000    
 C   0.1917000       2.770500      0.2103000    
 C    2.840900       1.638000       1.132100    
 C    3.018900      -2.130300     -0.8929000    
 C   -2.021800      0.8614000     -0.3037000    
 C   -1.816800      -1.734300      0.6634000    
 C   -3.157900      5.3100001E-02 -0.2197000    
 C   -3.056900      -1.242800      0.2685000    
 H    1.100800      0.8422000       2.046500    
 H    2.669400      -1.005200       1.455300    
 H    1.907300       1.791600      -1.598300    
 H   0.3295000       1.318200      -2.193100    
 H   0.5760000      -1.678400       2.111000    
 H   0.7537000      -2.541900      0.5948000    
 H   0.7720000      -1.028600      -1.840200    
 H    2.169400     -0.3230000      -2.630600    
 H  -0.4889000       3.166900     -0.5503000    
 H  -0.2640000       2.939900       1.192500    
 H    1.091000       3.390900      0.1433000    
 H    3.341500       1.747900      0.1663000    
 H    2.630100       2.638000       1.522900    
 H    3.554900       1.176900       1.823800    
 H    3.610600      -2.110600      -1.815100    
 H    2.235400      -2.885100      -1.014800    
 H    3.696800      -2.458100     -9.7300000E-02
 H   -2.143200       1.860900     -0.7107000    
 H   -1.747200      -2.753000       1.037800    
 H   -3.932200      -1.882200      0.3409000    
 H   -5.039300     -0.1545000     -0.4961000    


%chk=000062518-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062518

0 1
O -4.388557 0.641338 -0.647495
N 2.469391 -0.815366 -0.618548
C 0.499610 1.276799 0.001727
C 1.568181 0.798580 1.051812
C 1.908345 -0.687598 0.755592
C 1.087003 1.081643 -1.437252
C -0.761539 0.386625 0.133792
C 0.660080 -1.565959 1.061590
C 1.558878 -0.361714 -1.695271
C -0.661982 -0.960241 0.599589
C 0.166320 2.775168 0.209334
C 2.853656 1.650738 1.124888
C 3.088574 -2.119058 -0.903143
C -2.027651 0.871725 -0.275559
C -1.829970 -1.759173 0.652362
C -3.177018 0.058278 -0.218327
C -3.089889 -1.272195 0.250686
H 1.083532 0.829002 2.051391
H 2.719061 -1.005234 1.442184
H 1.941936 1.771775 -1.568403
H 0.319518 1.357148 -2.186224
H 0.617616 -1.725880 2.159415
H 0.787601 -2.573429 0.616765
H 0.674127 -1.036230 -1.810810
H 2.115938 -0.401048 -2.651869
H -0.552903 3.144905 -0.542770
H -0.263398 2.956662 1.211941
H 1.076144 3.390763 0.104176
H 3.401787 1.636105 0.167854
H 2.648132 2.698166 1.406829
H 3.530142 1.231860 1.894146
H 3.660806 -2.056726 -1.847706
H 2.361366 -2.963675 -1.010666
H 3.794380 -2.381451 -0.093755
H -2.154672 1.892316 -0.645065
H -1.749032 -2.792411 1.013155
H -3.978989 -1.914378 0.299035
H -5.132925 -0.005033 -0.567002


