%chk=000065823.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065823

0 1
 O    3.165600      -2.063000      0.9854000    
 N    1.150700      -1.402500     -0.9826000    
 C    2.529300     -0.9186000      -1.070200    
 C    3.122500     -0.7822000      0.3503000    
 C   0.3603000     -0.5434000     -0.1071000    
 C   -2.098800     -0.2607000      0.2756000    
 C   -4.638500      0.8511000      -1.155800    
 C   -3.334400       1.376100      -1.757900    
 C   -3.448600     -0.8699000      0.4102000    
 C   -1.849500       1.196200      0.2752000    
 C   -4.593600     -0.3608000     -0.2419000    
 C   -2.444100       1.998200     -0.7129000    
 C   -1.034200      -1.053400      4.3800000E-02
 C    3.317800      -1.895000      -1.944800    
 C    4.534300     -0.2366000      0.3712000    
 C   0.5501000      -1.470300      -2.315500    
 C   -3.596800      -1.977800       1.273900    
 C   -1.033500       1.787100       1.252100    
 C   -5.837900     -0.9893000     -1.1500000E-02
 C   -2.206500       3.380100     -0.7128000    
 C   -4.835100      -2.586300       1.476600    
 C  -0.8054000       3.162800       1.241300    
 C    5.599600      -1.117600      0.3059000    
 C    4.728700       1.131100      0.4544000    
 C   -5.957800      -2.092500      0.8312000    
 C   -1.390300       3.958000      0.2594000    
 C    6.900600     -0.6150000      0.3250000    
 C    6.029700       1.633600      0.4733000    
 C    7.115700      0.7605000      0.4085000    
 H    2.560600      6.9700003E-02  -1.551100    
 H    2.559900     -0.1130000       1.005900    
 H   0.4189000      0.4827000     -0.4826000    
 H   0.7328000     -0.5764000      0.9189000    
 H   -5.134200       1.662100     -0.6049000    
 H   -5.290500      0.5981000      -2.003400    
 H   -2.792600      0.5827000      -2.288200    
 H   -3.581200       2.127600      -2.518900    
 H   -1.160300      -2.135000      1.7100001E-02
 H    3.002400      -1.870900      -2.992900    
 H    3.242100      -2.927500      -1.585200    
 H    4.378700      -1.634000      -1.984100    
 H   0.9874000      -2.270500      -2.920500    
 H  -0.5136000      -1.731000      -2.288300    
 H   0.6385000     -0.5229000      -2.860700    
 H   -2.742400      -2.377700       1.817700    
 H  -0.5823000       1.189700       2.041000    
 H   -6.735700     -0.6091000     -0.4960000    
 H   -2.658600       4.017100      -1.468800    
 H    2.262900      -2.423900      0.9770000    
 H    5.465000      -2.192500      0.2321000    
 H    3.889400       1.818900      0.5018000    
 H   -4.919500      -3.438100       2.144700    
 H  -0.1749000       3.614200       2.001700    
 H   -6.927200      -2.555700      0.9877000    
 H   -1.213600       5.029700      0.2521000    
 H    7.746400      -1.294400      0.2725000    
 H    6.197400       2.704800      0.5373000    
 H    8.128700       1.151900      0.4224000    


%chk=000065823-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065823

0 1
O 2.810223 -2.377270 0.236745
N 1.311739 -0.576910 -1.035295
C 2.772560 -0.219889 -0.923966
C 3.294564 -1.007118 0.349569
C 0.466625 0.216613 -0.086289
C -2.094211 0.085050 0.241914
C -4.929974 0.237590 -1.212988
C -3.781907 0.965361 -1.954787
C -3.284415 -0.766182 0.594354
C -2.300941 1.554373 0.014477
C -4.560612 -0.689179 -0.049059
C -3.107950 1.998316 -1.071765
C -0.845593 -0.478998 0.201853
C 3.578345 -0.598474 -2.178244
C 4.805371 -0.980175 0.510903
C 0.718756 -0.574899 -2.394536
C -3.120308 -1.699461 1.662522
C -1.695809 2.511457 0.867971
C -5.598988 -1.550614 0.398045
C -3.285900 3.386454 -1.281167
C -4.161066 -2.545507 2.088354
C -1.884756 3.895495 0.655581
C 5.585311 -2.137085 0.273564
C 5.450709 0.220930 0.901619
C -5.419330 -2.470304 1.448940
C -2.681335 4.336019 -0.425258
C 6.991407 -2.089251 0.409910
C 6.856475 0.270851 1.032767
C 7.633117 -0.885827 0.784951
H 2.895212 0.873099 -0.739961
H 2.847365 -0.525823 1.250224
H 0.294666 1.246768 -0.471279
H 1.036257 0.321430 0.858369
H -5.637377 1.005576 -0.836680
H -5.497752 -0.362145 -1.951768
H -3.043281 0.217658 -2.305195
H -4.201939 1.454119 -2.853408
H -0.751158 -1.562384 0.364369
H 3.212761 -0.073321 -3.076896
H 3.545764 -1.688217 -2.357996
H 4.633926 -0.316415 -2.030993
H 1.242838 -1.287250 -3.049626
H -0.333487 -0.898658 -2.311585
H 0.731103 0.430981 -2.876164
H -2.157228 -1.729501 2.183354
H -1.092692 2.163709 1.714775
H -6.572900 -1.495052 -0.105589
H -3.900929 3.724855 -2.124212
H 1.923731 -2.243646 -0.235953
H 5.068988 -3.061889 0.000350
H 4.855050 1.118936 1.112367
H -3.996684 -3.243524 2.916458
H -1.416595 4.621851 1.329094
H -6.246174 -3.115384 1.765883
H -2.830956 5.407426 -0.599645
H 7.586119 -2.992206 0.228852
H 7.344353 1.204841 1.334731
H 8.723313 -0.850702 0.892038


