%chk=000043025.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043025

0 1
 O   -3.306600      -1.911700      0.2435000    
 O   0.2975000       2.848500     -0.1733000    
 O   -5.461200      -2.736300      0.2368000    
 N    3.647500      0.3344000      0.3752000    
 N    6.091300      -1.014800     -0.3775000    
 N   -5.053400     -0.4497000     -3.9099999E-02
 C    3.670000     -0.6509000     -0.7130000    
 C    4.951600      0.9980000      0.4919000    
 C    4.786800      -1.677700     -0.4962000    
 C    6.068200     -2.8700000E-02  0.7100000    
 C    2.583300       1.314100      0.1663000    
 C    1.210200      0.6423000      0.1603000    
 C    7.154600      -1.995100     -0.1669000    
 C   8.3300002E-02   1.646800     -3.0999999E-02
 C   -1.324800       1.151100     -4.4500001E-02
 C   -1.542600     -0.2012000      0.1179000    
 C   -3.893000      0.2926000     -7.3399998E-02
 C   -2.860400     -0.6065000      9.8700002E-02
 C   -2.345700       2.078700     -0.2201000    
 C   -3.673800       1.644400     -0.2365000    
 C   -4.704300      -1.776900      0.1514000    
 C   -6.378500      9.8700002E-02 -0.1805000    
 H    3.798300     -0.1615000      -1.687900    
 H    2.745000      -1.233300     -0.7512000    
 H    4.944000       1.684100       1.347600    
 H    5.169200       1.595400     -0.4040000    
 H    4.569600      -2.276800      0.3987000    
 H    4.797100      -2.362900      -1.352700    
 H    7.025500      0.5055000      0.7460000    
 H    5.932100     -0.5211000       1.682500    
 H    2.734700       1.870500     -0.7686000    
 H    2.602700       2.052200      0.9788000    
 H    1.124600     -5.6200001E-02 -0.6769000    
 H    1.061700      0.1175000       1.110900    
 H    7.197100      -2.701500      -1.003200    
 H    7.016400      -2.564900      0.7591000    
 H    8.131000      -1.499800     -0.1242000    
 H  -0.7662000     -0.9414000      0.2556000    
 H   -2.145800       3.138900     -0.3460000    
 H   -4.485900       2.349000     -0.3714000    
 H   -7.122900     -0.6998000     -0.1170000    
 H   -6.464500      0.5919000      -1.153100    
 H   -6.558900      0.8210000      0.6210000    


%chk=000043025-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043025

0 1
O -3.530356 -1.921955 0.185267
O 0.308538 2.879935 -0.140773
O -5.768872 -2.723098 0.236129
N 3.694800 0.302738 0.173278
N 6.256169 -1.010299 -0.234286
N -5.233341 -0.396399 0.038432
C 3.901762 -0.664492 -0.934941
C 4.976990 0.983874 0.493591
C 4.982770 -1.692318 -0.561500
C 6.054630 -0.044828 0.871298
C 2.610674 1.278009 -0.101217
C 1.221185 0.620032 -0.037187
C 7.349705 -1.960823 0.040841
C 0.078022 1.634338 -0.082619
C -1.336792 1.125590 -0.054560
C -1.635895 -0.265793 0.059915
C -4.031917 0.328851 -0.013575
C -2.981072 -0.620847 0.077333
C -2.391322 2.080351 -0.144653
C -3.750514 1.703551 -0.127208
C -4.973669 -1.776905 0.159978
C -6.590580 0.149918 -0.019954
H 4.210114 -0.141020 -1.875643
H 2.956414 -1.200753 -1.136140
H 4.807862 1.670051 1.344339
H 5.346909 1.588397 -0.372566
H 4.612513 -2.306410 0.300040
H 5.154292 -2.372424 -1.417213
H 7.010252 0.477904 1.064914
H 5.743786 -0.561029 1.816128
H 2.740063 1.788905 -1.087385
H 2.656566 2.071254 0.666159
H 1.081046 -0.103472 -0.865127
H 1.156178 0.029219 0.899445
H 7.500688 -2.619205 -0.833672
H 7.158836 -2.609492 0.933883
H 8.289196 -1.406292 0.216603
H -0.855831 -1.026795 0.136111
H -2.105010 3.133523 -0.228902
H -4.546184 2.450814 -0.199086
H -7.298490 -0.690611 0.051824
H -6.756862 0.681053 -0.973747
H -6.768453 0.843852 0.820447


