%chk=000068892.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068892

0 1
 O    4.339800      0.7641000     -0.6456000    
 O   -3.487700       3.743000       1.013100    
 O   -3.755400      0.9769000      0.9216000    
 N  -0.6717000       1.890400     -0.5331000    
 N   -3.672300      -2.942600      -1.582400    
 C    2.082700       1.220700      -1.281300    
 C   0.8699000      0.7126000      -2.068200    
 C    1.673000       1.520700      0.1645000    
 C  -0.3165000       1.670500      -1.941500    
 C   0.4596000       2.451300      0.2176000    
 C   -1.838800       2.766200     -0.4302000    
 C    3.228800      0.2140000      -1.329200    
 C   -2.328100       2.905600       1.013300    
 C   -2.692200       1.570900       1.660000    
 C    5.193200     -0.1184000     -3.0500000E-02
 C   -3.796200     -0.3915000      0.8943000    
 C   -3.718400      -1.104800     -0.3185000    
 C    5.357400      -1.393000     -0.5572000    
 C    5.880300      0.2753000       1.110500    
 C   -3.766100      -2.500000     -0.2821000    
 C   -3.918800      -1.099200       2.095600    
 C   -3.592500     -0.7267000      -1.684700    
 C    6.223900      -2.289600      6.8200000E-02
 C    6.746700     -0.6214000       1.735700    
 C   -3.888200      -3.220600      0.9111000    
 C   -3.964100      -2.492000       2.101600    
 C   -3.566900      -1.878400      -2.437100    
 C    6.918500      -1.903900       1.214500    
 H    2.429000       2.161700      -1.730800    
 H   0.5743000     -0.2806000      -1.704900    
 H    1.132600      0.5985000      -3.126700    
 H    2.502000       1.989600      0.7079000    
 H    1.437100      0.5856000      0.6901000    
 H   -1.165600       1.231100      -2.477900    
 H  -7.6499999E-02   2.620600      -2.436900    
 H   0.7360000       3.441300     -0.1682000    
 H   0.2243000       2.566700       1.279400    
 H   -2.659400       2.375700      -1.045600    
 H   -1.625300       3.764600     -0.8370000    
 H    2.883300     -0.7222000     -0.8702000    
 H    3.511300      1.8800000E-02  -2.370500    
 H   -1.597900       3.427800       1.637100    
 H   -1.818400      0.9106000       1.717500    
 H   -3.058700       1.750300       2.677600    
 H   -4.184500       3.284300      0.5131000    
 H    4.858300      -1.722000      -1.463300    
 H    5.748300       1.272900       1.519200    
 H   -3.989000     -0.5678000       3.041600    
 H   -3.532800      0.2778000      -2.079300    
 H   -3.923900      -4.304800      0.9168000    
 H    6.363200      -3.286000     -0.3410000    
 H    7.287800     -0.3211000       2.628200    
 H   -4.061600      -3.021500       3.046000    
 H   -3.680200      -3.913200      -1.864200    
 H   -3.484500      -2.034600      -3.503400    
 H    7.594300      -2.601500       1.700500    


%chk=000068892-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068892

0 1
O 4.944304 0.821818 -0.004547
O -3.432152 3.317082 0.746535
O -3.714574 0.610972 0.188456
N -0.187272 1.688629 -0.351641
N -6.790312 -2.297543 -1.770008
C 2.633653 0.913232 -0.733363
C 1.463360 0.125345 -1.372613
C 2.140846 1.633652 0.543673
C 0.247681 1.042652 -1.614761
C 0.904393 2.501600 0.242594
C -1.462868 2.433266 -0.476828
C 3.817461 -0.017807 -0.450916
C -2.276744 2.411927 0.841909
C -2.728882 0.997481 1.221241
C 6.149802 0.183584 0.327935
C -4.322440 -0.651074 0.293610
C -5.266753 -0.969603 -0.722590
C 6.355105 -1.218478 0.276582
C 7.200083 1.044394 0.736367
C -5.924731 -2.245518 -0.670471
C -4.056531 -1.587597 1.313282
C -5.764016 -0.265827 -1.883657
C 7.616874 -1.746537 0.638480
C 8.450098 0.502390 1.093023
C -5.672855 -3.198749 0.345885
C -4.730900 -2.845082 1.328852
C -6.692241 -1.103074 -2.500658
C 8.668107 -0.897379 1.047075
H 2.977533 1.681622 -1.457591
H 1.155913 -0.698255 -0.697271
H 1.778231 -0.325818 -2.334535
H 2.951009 2.259303 0.959620
H 1.871082 0.876501 1.307365
H -0.596963 0.449792 -2.010891
H 0.517340 1.805283 -2.392662
H 1.197779 3.337444 -0.446580
H 0.537247 2.968081 1.175192
H -2.076267 1.959408 -1.265512
H -1.312509 3.499595 -0.765694
H 3.558333 -0.749183 0.344499
H 4.111094 -0.573758 -1.366590
H -1.666373 2.818821 1.667819
H -1.863412 0.308030 1.205122
H -3.218693 0.994352 2.214200
H -4.130360 2.835353 0.229094
H 5.555636 -1.896197 -0.036571
H 7.013363 2.122490 0.765242
H -3.333205 -1.365391 2.102307
H -5.472144 0.726770 -2.217812
H -6.182781 -4.167172 0.373485
H 7.772830 -2.830742 0.598573
H 9.257274 1.173468 1.407654
H -4.503738 -3.551184 2.135179
H -7.396780 -3.081321 -1.999705
H -7.287692 -0.942864 -3.397495
H 9.641156 -1.315483 1.325209


