%chk=000118564.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118564

0 1
 O   8.7600000E-02  -1.867800      0.4041000    
 O   -1.577300       2.410100     -0.4737000    
 N    2.586500      -1.096500      1.7700000E-02
 N   0.6986000       2.061900     -0.2850000    
 N  -0.8253000      0.2365000     -6.4400002E-02
 C    1.609100     -0.1410000     -5.4800000E-02
 C    1.782700       1.185400     -0.2123000    
 C   0.2234000     -0.6809000      9.7199999E-02
 C    3.080200      -1.764800      -1.177200    
 C    3.346200      -1.310900       1.240400    
 C  -0.6419000       1.627300     -0.2713000    
 C   0.9424000       3.500500     -0.4413000    
 C    3.167600       1.789300     -0.3331000    
 C   -2.180600     -0.2710000      8.5000005E-03
 C    2.164200      -2.894700      -1.599500    
 C    3.143200      -2.711000       1.781500    
 C    1.060100       4.192400      0.9010000    
 C   -2.445000      -1.574400     -0.3893000    
 C   -3.195400      0.5530000      0.4756000    
 C   -3.749500      -2.063300     -0.3189000    
 C   -4.499900      6.4000003E-02  0.5460000    
 C   -4.776900      -1.244100      0.1488000    
 H    3.178100      -1.046000      -2.000500    
 H    4.086700      -2.167900      -1.010200    
 H    4.413100      -1.131700       1.060200    
 H    3.041200     -0.5932000       2.012900    
 H    1.814600       3.700300      -1.069100    
 H   0.1025000       3.951000     -0.9839000    
 H    3.962600       1.046000     -0.2187000    
 H    3.352800       2.542600      0.4363000    
 H    3.315200       2.229000      -1.325000    
 H    1.988400      -3.605500     -0.7867000    
 H    1.194100      -2.518100      -1.938500    
 H    2.608800      -3.443900      -2.436100    
 H    2.083800      -2.922200       1.956900    
 H    3.530400      -3.469800       1.094600    
 H    3.672100      -2.827200       2.733000    
 H   0.1361000       4.080600       1.478800    
 H    1.873900       3.787700       1.508700    
 H    1.241200       5.262800      0.7613000    
 H   -1.709000      -2.228100     -0.8443000    
 H   -3.034000       1.540100      0.8932000    
 H   -3.969500      -3.075400     -0.6462000    
 H   -5.297000      0.6937000      0.9307000    
 H   -5.792500      -1.624900      0.2043000    


%chk=000118564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118564

0 1
O 0.019627 -1.923609 0.606108
O -1.579846 2.315793 -0.661385
N 2.760579 -1.037137 0.359412
N 0.729638 1.969100 -0.532430
N -0.789249 0.215270 0.060581
C 1.647967 -0.182893 0.149243
C 1.829185 1.158078 -0.197049
C 0.283358 -0.726886 0.289253
C 3.596106 -1.425049 -0.799210
C 2.861968 -1.847807 1.600778
C -0.613511 1.545954 -0.391628
C 0.894163 3.367404 -1.026690
C 3.207548 1.771271 -0.228315
C -2.161940 -0.242767 0.255125
C 2.854744 -2.245495 -1.883247
C 2.693028 -3.375072 1.438386
C 0.767654 4.418282 0.094141
C -2.653855 -1.331712 -0.495928
C -2.980439 0.403660 1.206811
C -3.977665 -1.776916 -0.289124
C -4.305099 -0.041864 1.404169
C -4.806630 -1.133853 0.658651
H 4.031849 -0.522511 -1.275871
H 4.450215 -2.008100 -0.406038
H 3.849488 -1.640877 2.070699
H 2.091809 -1.475334 2.298540
H 1.867448 3.437070 -1.537488
H 0.098339 3.534414 -1.771519
H 3.872137 1.127695 0.370818
H 3.212287 2.789975 0.194950
H 3.627541 1.828448 -1.251791
H 2.452676 -3.183804 -1.466505
H 2.006967 -1.667615 -2.294390
H 3.538369 -2.490217 -2.718797
H 1.690792 -3.598639 1.040781
H 3.459423 -3.804338 0.766471
H 2.805826 -3.865408 2.424135
H -0.233286 4.361130 0.552648
H 1.528033 4.275073 0.882732
H 0.895143 5.432019 -0.327209
H -2.003925 -1.833178 -1.218016
H -2.588619 1.253615 1.773596
H -4.359247 -2.625542 -0.867138
H -4.942884 0.462921 2.137915
H -5.834111 -1.480650 0.815524


