%chk=000039758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039758

0 1
 O   -6.987800       1.450100      0.1874000    
 O  -0.1797000      -3.474000      0.9073000    
 O   -6.039200      0.5336000      -1.704200    
 O    3.765500       2.835300      0.8222000    
 O    6.452600     -0.7026000     -0.9664000    
 O    6.214900       1.911200     -8.1900001E-02
 N   -4.421200     -0.9872000     -1.4100000E-02
 N   -1.692800      -1.866100      0.1737000    
 C   -3.345500     -1.5600000E-02  0.2226000    
 C   -4.095000      -2.269300      0.6244000    
 C   -2.008400     -0.5216000     -0.3253000    
 C   -2.789600      -2.828800      6.3800000E-02
 C   -5.696200     -0.4741000      0.4856000    
 C  -0.4442000      -2.309300      0.6040000    
 C   -6.237900      0.5340000     -0.4969000    
 C   0.6435000      -1.314800      0.6963000    
 C    1.743200      -1.504300     -4.3800000E-02
 C    2.914300     -0.6099000     -5.3500000E-02
 C   -7.576200       2.483900     -0.6087000    
 C    4.146500      -1.078900     -0.5093000    
 C    2.791000      0.7057000      0.3931000    
 C    3.899600       1.552300      0.3840000    
 C    5.255100     -0.2322000     -0.5186000    
 C    5.131500       1.083300     -7.1999997E-02
 C   -8.367600       3.408900      0.2911000    
 C    3.407100       3.817400     -0.1478000    
 C    6.493100      -2.059000      -1.405200    
 C    7.023600       1.932200       1.092100    
 H   -3.238000      0.1859000       1.297100    
 H   -3.569500      0.9397000     -0.2665000    
 H   -4.890400      -2.999700      0.4333000    
 H   -4.010100      -2.149300       1.712600    
 H   -2.049500     -0.5927000      -1.419300    
 H   -1.217000      0.1901000     -7.8199998E-02
 H   -2.538700      -3.761200      0.5803000    
 H   -2.900700      -3.067700      -1.001200    
 H   -5.591300     -3.2400001E-02   1.483800    
 H   -6.449800      -1.269200      0.5417000    
 H   0.4867000     -0.4765000       1.363200    
 H    1.818000      -2.382100     -0.6826000    
 H   -6.785800       3.048000      -1.116300    
 H   -8.240800       2.035800      -1.355600    
 H    4.187400      -2.110500     -0.8436000    
 H    1.844000       1.111400      0.7385000    
 H   -8.832200       4.213100     -0.2863000    
 H   -7.719600       3.850700       1.055200    
 H   -9.150600       2.855300      0.8198000    
 H    4.165100       3.876200     -0.9353000    
 H    2.429500       3.587300     -0.5832000    
 H    3.347300       4.787600      0.3529000    
 H    6.273400      -2.754800     -0.5882000    
 H    5.850600      -2.221200      -2.277300    
 H    7.520000      -2.262400      -1.726500    
 H    6.440900       2.268400       1.955500    
 H    7.445800      0.9413000       1.287300    
 H    7.844600       2.635800      0.9298000    


%chk=000039758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039758

0 1
O -7.654784 1.034729 0.929063
O -0.377787 -3.107029 -0.413936
O -6.127237 1.768895 -0.670561
O 4.175270 3.008112 -0.787147
O 6.643966 -0.946094 0.660780
O 6.614286 1.788064 0.021833
N -4.554446 -0.641002 -0.186435
N -1.882770 -1.412708 -0.941432
C -3.435495 0.329605 -0.090964
C -4.076366 -2.030350 0.037525
C -2.340418 -0.020511 -1.121197
C -2.990101 -2.390227 -0.993726
C -5.702632 -0.303052 0.663522
C -0.590106 -1.866568 -0.651227
C -6.467645 0.937335 0.198459
C 0.524185 -0.875673 -0.643050
C 1.782028 -1.284211 -0.293745
C 3.004050 -0.472403 -0.234649
C -8.519310 2.220197 0.630023
C 4.207688 -1.105382 0.186866
C 3.046999 0.900896 -0.587911
C 4.246186 1.633993 -0.495509
C 5.415198 -0.381917 0.274123
C 5.446471 1.012174 -0.038370
C -9.739091 2.114951 1.538948
C 5.104476 3.524673 -1.816829
C 6.669437 -2.386536 0.934154
C 7.327234 1.833467 1.319308
H -2.984141 0.331129 0.934950
H -3.824241 1.337306 -0.311307
H -4.929668 -2.724158 -0.080334
H -3.657356 -2.166901 1.066420
H -2.767862 0.093766 -2.137243
H -1.506124 0.686741 -1.013085
H -2.565779 -3.386450 -0.791132
H -3.436196 -2.375669 -2.007917
H -5.430047 -0.134973 1.738451
H -6.417373 -1.146225 0.661435
H 0.337493 0.163153 -0.931219
H 1.876607 -2.347155 -0.026815
H -7.928088 3.135344 0.815400
H -8.783835 2.192920 -0.442378
H 4.179478 -2.170439 0.436834
H 2.156896 1.435748 -0.930598
H -10.415012 2.970489 1.357815
H -9.442046 2.125859 2.601530
H -10.297653 1.183798 1.343145
H 6.152226 3.349562 -1.523481
H 4.894673 3.044471 -2.792407
H 4.890634 4.602689 -1.877538
H 6.018226 -2.646752 1.790782
H 6.362548 -2.966378 0.042926
H 7.717300 -2.611473 1.181479
H 6.652083 2.209790 2.110608
H 7.712554 0.835791 1.584387
H 8.154919 2.541690 1.162174


