%chk=000101531.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101531

0 1
 O    3.680300       3.134500      0.2652000    
 O   -3.884100       2.941400     -0.4566000    
 N   -2.075400      -3.756500      0.2580000    
 C   0.6598000      -1.596200     -0.3074000    
 C  -0.6399000      -1.559400      0.5670000    
 C    1.528400      -2.842800      1.2100000E-02
 C    1.477300     -0.3154000     -0.1523000    
 C   -1.516100     -0.3434000      0.2903000    
 C    2.741900      -2.985300     -0.9015000    
 C    1.694900      0.4686000      -1.263100    
 C    1.967600      9.2000002E-03   1.093100    
 C   -1.772600      0.5384000       1.318400    
 C   -2.023800     -0.1654000     -0.9791000    
 C   -1.443900      -2.792000      0.3920000    
 C    2.441800       1.638200      -1.121400    
 C    2.714400       1.178800       1.234900    
 C    2.951400       1.993400      0.1275000    
 C   -2.574800       1.651100       1.065300    
 C   -2.825900      0.9474000      -1.232400    
 C   -3.101400       1.855700     -0.2102000    
 H   0.3603000      -1.694400      -1.361200    
 H  -0.3400000      -1.539000       1.624200    
 H   0.9301000      -3.753000     -0.1082000    
 H    1.865100      -2.830900       1.055600    
 H    3.463600      -2.177700     -0.7477000    
 H    2.442100      -2.988600      -1.954200    
 H    3.256100      -3.929500     -0.6944000    
 H    1.303100      0.2016000      -2.239500    
 H    1.794800     -0.6127000       1.965400    
 H   -1.367700      0.3899000       2.314800    
 H   -1.822200     -0.8637000      -1.785500    
 H    2.623100       2.268600      -1.987700    
 H    3.106100       1.444100       2.213200    
 H   -2.785600       2.355300       1.865500    
 H   -3.230500       1.095000      -2.230100    
 H    3.952700       3.223900       1.194700    
 H   -4.160900       2.925100      -1.388900    


%chk=000101531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101531

0 1
O 3.758679 3.215965 0.594202
O -3.933080 2.983528 -0.752682
N -1.968797 -3.870717 0.398547
C 0.684086 -1.596362 -0.312131
C -0.631213 -1.563930 0.580662
C 1.499626 -2.900528 -0.086776
C 1.508426 -0.334118 -0.054836
C -1.546971 -0.383296 0.227672
C 2.725759 -3.012033 -1.016897
C 1.611952 0.684358 -1.036059
C 2.184630 -0.139231 1.176499
C -1.491520 0.815885 0.980576
C -2.427640 -0.448821 -0.878828
C -1.370127 -2.841449 0.484294
C 2.361341 1.856159 -0.809680
C 2.938723 1.027403 1.424347
C 3.026045 2.027580 0.425233
C -2.288678 1.926550 0.642323
C -3.233151 0.654358 -1.230835
C -3.160447 1.844624 -0.467120
H 0.347269 -1.584305 -1.368131
H -0.305905 -1.460071 1.635597
H 0.836743 -3.770959 -0.251393
H 1.829690 -2.956424 0.970430
H 3.436845 -2.183535 -0.850233
H 2.420371 -2.986100 -2.080038
H 3.261791 -3.962990 -0.844826
H 1.091820 0.561651 -1.993407
H 2.138671 -0.909064 1.956756
H -0.812036 0.888465 1.837511
H -2.505313 -1.374148 -1.461942
H 2.439301 2.641128 -1.567464
H 3.457540 1.154487 2.383861
H -2.249935 2.854639 1.219553
H -3.917334 0.584024 -2.086567
H 4.187955 3.243479 1.485107
H -4.515014 2.828098 -1.537524


