%chk=000039272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039272

0 1
 O   -2.059900      0.5207000      -2.174300    
 O    5.764400      0.6575000     -0.4340000    
 O   0.7854000      0.3718000      -1.440000    
 N  -0.1461000      -1.480300     -0.3125000    
 N    3.201000     -0.2637000      0.3915000    
 C   -1.604100      0.3114000     -0.8523000    
 C   -2.325400     -0.8157000     -0.1623000    
 C    1.029600      -2.305100     -0.1643000    
 C   -1.424000      -1.838700      0.1375000    
 C  -0.1544000     -0.2180000     -0.9256000    
 C    1.725900      -2.096200       1.179100    
 C    2.237300     -0.6716000       1.411800    
 C   -1.657300       1.600300     -0.1070000    
 C    4.374400      -1.148300      0.3990000    
 C    3.619600       1.129800      0.5967000    
 C   -3.665800     -0.9349000      0.1662000    
 C   -1.823900      -2.998800      0.7781000    
 C    5.371000     -0.6959000     -0.6645000    
 C    4.633200       1.528300     -0.4722000    
 C   -4.086800      -2.099200      0.8133000    
 C   -1.127200       1.685300       1.181400    
 C   -2.238000       2.724700     -0.6954000    
 C   -3.172900      -3.122000       1.117700    
 C   -2.032300     -0.6795000      -2.939800    
 C   -1.177400       2.891900       1.879500    
 C   -2.288300       3.931300      2.7000001E-03
 C   -1.758000       4.014900       1.290100    
 H    1.718200      -2.073100     -0.9847000    
 H   0.7506000      -3.357500     -0.2865000    
 H    2.522100      -2.837600       1.302500    
 H    1.010300      -2.318500       1.982000    
 H    2.686800     -0.6210000       2.412600    
 H    1.392000      2.0800000E-02   1.423400    
 H    4.858800      -1.135000       1.383900    
 H    4.113500      -2.182100      0.1567000    
 H    2.754900       1.800400      0.5336000    
 H    4.071300       1.249300       1.590100    
 H   -4.374900     -0.1485000     -6.8400003E-02
 H   -1.130400      -3.796200       1.018700    
 H    6.272200      -1.315700     -0.6194000    
 H    4.954800     -0.7889000      -1.675200    
 H    4.190600       1.510300      -1.475700    
 H    4.990300       2.546200     -0.2861000    
 H   -5.132600      -2.216900       1.084300    
 H  -0.6896000      0.8226000       1.673000    
 H   -2.669200       2.705500      -1.692000    
 H   -3.521900      -4.019400       1.621900    
 H   -2.353400     -0.4127000      -3.952500    
 H   -1.030100      -1.105300      -3.038900    
 H   -2.746300      -1.426300      -2.581800    
 H  -0.7690000       2.955800       2.883800    
 H   -2.741800       4.805700     -0.4549000    
 H   -1.798500       4.953900       1.834200    


%chk=000039272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039272

0 1
O -2.481497 0.677935 -2.075211
O 6.019736 0.611415 -0.599042
O 0.553608 0.525831 -1.555233
N -0.214913 -1.376426 -0.369372
N 3.493283 -0.397053 0.409568
C -1.864623 0.336397 -0.784234
C -2.476790 -0.885447 -0.112545
C 1.055326 -2.119707 -0.294071
C -1.463927 -1.849956 0.125936
C -0.356224 -0.117730 -0.973046
C 1.723594 -2.026042 1.098749
C 2.356174 -0.633476 1.330342
C -1.890076 1.619687 0.053474
C 4.784948 -0.905786 0.930759
C 3.624926 1.011303 -0.049231
C -3.803377 -1.145731 0.254975
C -1.746758 -3.081260 0.746071
C 5.872742 -0.781173 -0.150111
C 4.727049 1.103325 -1.115373
C -4.113364 -2.386338 0.873359
C -2.055400 1.584632 1.459964
C -1.671350 2.862995 -0.591310
C -3.092370 -3.335512 1.116569
C -2.377014 -0.370470 -3.100876
C -2.015154 2.780325 2.212371
C -1.639558 4.056197 0.161895
C -1.809643 4.020250 1.566118
H 1.743844 -1.676290 -1.035935
H 0.861283 -3.172189 -0.573662
H 2.508494 -2.804836 1.161070
H 0.987105 -2.244208 1.897180
H 2.662137 -0.534017 2.399749
H 1.591353 0.144137 1.148562
H 5.107488 -0.338486 1.841024
H 4.676834 -1.969603 1.217778
H 2.663939 1.326835 -0.493582
H 3.876407 1.699802 0.795746
H -4.582345 -0.400022 0.063942
H -0.966328 -3.824052 0.938081
H 6.861456 -1.071062 0.243678
H 5.608959 -1.429139 -1.014580
H 4.430407 0.507338 -2.005010
H 4.908951 2.149199 -1.412327
H -5.144621 -2.608727 1.166387
H -2.225296 0.629162 1.968122
H -1.539740 2.879262 -1.676014
H -3.342056 -4.286853 1.599756
H -2.919148 0.027615 -3.972292
H -1.320536 -0.555398 -3.377577
H -2.850457 -1.315483 -2.768468
H -2.148510 2.743073 3.299489
H -1.478401 5.013800 -0.345928
H -1.781870 4.947757 2.149315


