%chk=000085875.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085875

0 1
 O   -1.222100      -2.243300      0.2157000    
 O    2.849800       1.454300     -0.1882000    
 N   -4.116400      0.8485000      0.1879000    
 C   -1.874200      0.3837000     -0.6978000    
 C   -2.684000      0.9583000      0.4789000    
 C  -0.4721000     -3.1199999E-02 -0.3214000    
 C  -0.2223000      -1.322700      0.1163000    
 C   0.5482000      0.9022000     -0.4254000    
 C   -2.359700       2.427200      0.7512000    
 C    2.114900     -0.7610000      0.3594000    
 C    1.849400      0.5351000     -8.2699999E-02
 C    1.079100      -1.689900      0.4589000    
 C    3.501900      -1.171000      0.7304000    
 C   -1.481200      -3.045100     -0.9348000    
 C    2.488700       2.754800     -0.6484000    
 H   -2.398600     -0.4772000      -1.129000    
 H   -1.835100       1.109200      -1.522600    
 H   -2.488900      0.3813000       1.390700    
 H   0.2814000       1.891300     -0.7804000    
 H   -2.995900       2.825900       1.549900    
 H   -2.511000       3.047100     -0.1397000    
 H   -1.322200       2.548300       1.077300    
 H    1.276700      -2.702400      0.8026000    
 H   -4.357200     -0.1262000      1.1700000E-02
 H   -4.332800       1.352400     -0.6718000    
 H    4.172000      -1.066100     -0.1292000    
 H    3.873900     -0.5519000       1.553500    
 H    3.546700      -2.215300       1.057500    
 H   -2.478500      -3.481200     -0.8317000    
 H   -1.446800      -2.459500      -1.859200    
 H  -0.7482000      -3.856000     -0.9880000    
 H    2.105900       2.728800      -1.674300    
 H    3.404700       3.354700     -0.6678000    
 H    1.799700       3.251800      4.3099999E-02


%chk=000085875-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085875

0 1
O -1.460010 -1.993720 -0.426405
O 2.981553 1.471561 -0.149484
N -4.318444 1.117282 -0.241864
C -1.937679 0.700119 -1.038284
C -2.923282 0.853026 0.179106
C -0.550973 0.213222 -0.662076
C -0.325721 -1.152372 -0.337563
C 0.553438 1.095839 -0.601253
C -2.473287 1.967087 1.142662
C 2.063492 -0.722217 0.100473
C 1.839971 0.642933 -0.226527
C 0.962520 -1.605807 0.036121
C 3.445973 -1.196422 0.498894
C -1.268258 -3.413550 -0.137940
C 2.808328 2.885422 -0.475737
H -2.400950 -0.017756 -1.742022
H -1.868953 1.681032 -1.551416
H -2.924059 -0.111476 0.720323
H 0.384141 2.147022 -0.856875
H -3.153295 2.014083 2.010337
H -2.494085 2.954089 0.636680
H -1.444440 1.789557 1.500339
H 1.133146 -2.658676 0.282749
H -4.716471 0.374909 -0.829016
H -4.440474 2.040767 -0.675789
H 4.179352 -1.006562 -0.306526
H 3.813853 -0.649012 1.386152
H 3.446298 -2.276249 0.726925
H -2.258614 -3.873772 -0.273299
H -0.544410 -3.875440 -0.838473
H -0.924373 -3.573213 0.903245
H 2.466798 3.021640 -1.521117
H 3.804436 3.336109 -0.351326
H 2.090276 3.375447 0.211588


