%chk=000014707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014707

0 1
 O    5.815300     -0.1579000       1.573000    
 N  -0.8997000      0.5461000     -0.1889000    
 C    1.303200      -1.387700     -6.3900001E-02
 C   0.4601000      -1.135400      -1.351800    
 C  -1.8000000E-03  0.3386000      -1.345600    
 C   0.3747000      -1.109600       1.151300    
 C    1.220800       1.278000      -1.426900    
 C    2.491300     -0.4157000      1.4300000E-02
 C  -0.2809000      0.2771000       1.109700    
 C    2.421200      0.8479000     -0.6143000    
 C    1.736400      -2.869400     -1.2100000E-02
 C    1.169200      -1.516600      -2.661300    
 C   -1.570700       1.842200     -0.1992000    
 C    3.644500     -0.7257000      0.7584000    
 C    3.503900       1.738800     -0.5192000    
 C   -2.702000       1.881400      0.8288000    
 C    4.709800      0.1720000      0.8502000    
 C    4.641800       1.402000      0.2083000    
 C   -3.730700      0.8119000      0.5608000    
 C   -4.808300       1.095200     -0.2648000    
 C   -3.582100     -0.4376000       1.143800    
 C   -5.759900      0.1060000     -0.5131000    
 C   -4.533600      -1.426800      0.8955000    
 C   -5.622600      -1.155000      6.7000002E-02
 H  -0.4398000      -1.768500      -1.309200    
 H  -0.6075000      0.5026000      -2.247400    
 H   0.9298000      -1.211200       2.093100    
 H  -0.4206000      -1.867400       1.178800    
 H   0.9442000       2.302400      -1.154600    
 H    1.543300       1.325100      -2.476100    
 H  -0.9754000      0.3113000       1.949300    
 H   0.4691000       1.044300       1.340600    
 H    2.526700      -3.088000     -0.7389000    
 H    2.113100      -3.151100      0.9776000    
 H   0.8902000      -3.533300     -0.2246000    
 H   0.5648000      -1.218000      -3.524700    
 H    2.153600      -1.051700      -2.764000    
 H    1.307000      -2.600700      -2.727200    
 H  -0.8745000       2.661200      1.6100001E-02
 H   -1.994900       2.033500      -1.193400    
 H    3.726400      -1.671300       1.287400    
 H    3.460200       2.706200      -1.014300    
 H   -3.190100       2.863800      0.7637000    
 H   -2.349100       1.831200       1.864600    
 H    5.464000       2.109500      0.2696000    
 H    6.451200      0.5769000       1.530200    
 H   -4.923600       2.073000     -0.7235000    
 H   -2.775000     -0.6739000       1.824400    
 H   -6.607600      0.3175000      -1.158200    
 H   -4.432100      -2.405900       1.354300    
 H   -6.364500      -1.924600     -0.1247000    


%chk=000014707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014707

0 1
O 6.198644 0.033898 1.037584
N -0.783168 0.458429 0.257722
C 1.514579 -1.405525 0.232688
C 0.474989 -1.320462 -0.934683
C -0.070762 0.127943 -1.010635
C 0.755366 -1.014443 1.548580
C 1.078060 1.107420 -1.398095
C 2.654482 -0.391350 0.002461
C 0.069658 0.360830 1.466367
C 2.415774 0.816206 -0.722675
C 2.031652 -2.857832 0.390682
C 1.020746 -1.800845 -2.297302
C -1.580582 1.704701 0.212985
C 3.931874 -0.607848 0.572282
C 3.466017 1.756861 -0.852324
C -2.883609 1.627947 1.064454
C 4.962403 0.343604 0.432816
C 4.737720 1.541704 -0.283889
C -3.980495 0.783548 0.432767
C -5.163823 1.392406 -0.060981
C -3.842857 -0.625041 0.303974
C -6.182831 0.621843 -0.667600
C -4.858136 -1.397504 -0.303255
C -6.033585 -0.778565 -0.790510
H -0.383353 -1.964378 -0.651743
H -0.838621 0.168766 -1.807860
H 1.465777 -1.017456 2.397893
H -0.009981 -1.791697 1.745377
H 0.764644 2.148659 -1.183820
H 1.217575 1.059135 -2.498110
H -0.569584 0.500471 2.359206
H 0.838800 1.171557 1.496661
H 2.717831 -3.144521 -0.425057
H 2.567104 -2.996411 1.347900
H 1.178222 -3.561709 0.389826
H 0.278881 -1.618477 -3.097832
H 1.957122 -1.283016 -2.573251
H 1.230233 -2.884763 -2.282454
H -0.985096 2.584638 0.564140
H -1.861068 1.905855 -0.838245
H 4.155636 -1.519499 1.132884
H 3.283034 2.682118 -1.413238
H -3.254580 2.660646 1.214128
H -2.624086 1.237367 2.067863
H 5.533880 2.289056 -0.397085
H 6.854712 0.757017 0.879062
H -5.289096 2.478814 0.033746
H -2.922687 -1.096647 0.664783
H -7.090417 1.111921 -1.039094
H -4.735179 -2.483322 -0.393589
H -6.823020 -1.379351 -1.256606


