%chk=000132305.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132305

0 1
 O    6.477700     -0.8243000       1.577800    
 O    4.513200      0.9562000      0.2043000    
 O   0.8145000      -1.539100      -1.196900    
 O   -4.333000     -0.8746000      0.6858000    
 O   -6.930100       1.565400      0.3843000    
 O   -7.004500     -0.7417000      0.3937000    
 N    3.220800      -1.958000      0.2297000    
 C    5.052900     -0.9509000       1.559800    
 C    4.664300      -1.806100      0.3515000    
 C    4.440800      0.4479000       1.532900    
 C    2.876500      -2.727400     -0.9583000    
 C    1.367600      -2.845200      -1.102900    
 C    3.521000       1.818200     -0.1794000    
 C  -0.4633000      -1.374100     -0.7297000    
 C  -0.8597000     -0.1454000     -0.2017000    
 C   -1.367500      -2.435000     -0.7823000    
 C    2.904100       2.637200      0.7663000    
 C    3.126500       1.876700      -1.516000    
 C   -3.064300      -1.038400      0.2213000    
 C   -2.160100      2.2399999E-02  0.2738000    
 C   -2.667900      -2.267200     -0.3067000    
 C    1.892700       3.514600      0.3755000    
 C    2.115100       2.754200      -1.906900    
 C    1.498300       3.573100     -0.9611000    
 C   -4.894000      0.4341000      0.5949000    
 C   -6.388000      0.3138000      0.4471000    
 C   -8.353600       1.613600      0.2432000    
 H    4.769400      -1.457400       2.490000    
 H    5.096300      -1.377800     -0.5626000    
 H    5.134900      -2.791600      0.4652000    
 H    2.774700      -1.043500      0.1749000    
 H    4.986300       1.123700       2.201400    
 H    3.401000      0.3610000       1.874100    
 H    3.276600      -2.225300      -1.847900    
 H    3.311500      -3.731900     -0.9055000    
 H    1.129100      -3.403800      -2.015200    
 H   0.9840000      -3.393900     -0.2322000    
 H    6.719000     -0.3357000       2.383300    
 H  -0.1569000      0.6816000     -0.1519000    
 H   -1.108000      -3.398400      -1.210800    
 H    3.200500       2.644000       1.811000    
 H    3.602100       1.239100      -2.256200    
 H   -2.420500      0.9861000      0.7016000    
 H   -3.370200      -3.094900     -0.3556000    
 H    1.416100       4.156800       1.110300    
 H    1.807200       2.798900      -2.947400    
 H   0.7112000       4.256800      -1.265600    
 H   -4.533800      0.9687000     -0.2927000    
 H   -4.672600      0.9843000       1.515100    
 H   -8.656200       2.663400      0.2057000    
 H   -8.835700       1.139700       1.103500    
 H   -8.658500       1.126700     -0.6880000    


%chk=000132305-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000132305

0 1
O 6.838766 -0.746760 0.406426
O 4.400373 1.011670 -0.004900
O 0.624586 -2.036331 -0.780042
O -4.853659 -1.100380 0.200720
O -7.493306 1.326139 -0.312852
O -7.553402 -0.750102 0.757620
N 3.362366 -2.015752 0.049280
C 5.470819 -0.996607 0.886924
C 4.801832 -1.822231 -0.230105
C 4.705877 0.288096 1.235998
C 2.742984 -3.161699 -0.644689
C 1.265314 -3.264648 -0.272618
C 3.757121 2.256208 0.103821
C -0.743449 -1.847467 -0.508661
C -1.297775 -0.631283 -0.967972
C -1.563992 -2.783819 0.172280
C 3.332212 2.834684 1.326328
C 3.540298 2.934266 -1.122178
C -3.478698 -1.277633 -0.073652
C -2.660943 -0.340564 -0.754933
C -2.926277 -2.493738 0.386032
C 2.690691 4.095878 1.307939
C 2.899758 4.188537 -1.122504
C 2.470653 4.779148 0.092515
C -5.453333 0.138912 -0.254921
C -6.925960 0.129097 0.142749
C -8.935212 1.505578 -0.013692
H 5.489724 -1.600341 1.821940
H 5.006251 -1.313628 -1.196607
H 5.297707 -2.809285 -0.263234
H 2.829281 -1.159060 -0.159438
H 5.312680 0.930560 1.910134
H 3.764884 0.015419 1.756230
H 2.827680 -3.106966 -1.757402
H 3.247777 -4.093797 -0.322197
H 0.799917 -4.154629 -0.743667
H 1.150495 -3.317545 0.828714
H 7.340058 -0.229851 1.086481
H -0.648787 0.079336 -1.488781
H -1.159711 -3.732120 0.537241
H 3.484728 2.321812 2.280504
H 3.883234 2.464424 -2.049248
H -3.060659 0.609822 -1.120949
H -3.577748 -3.200202 0.908962
H 2.361440 4.540652 2.253998
H 2.736985 4.708757 -2.073118
H 1.974286 5.755162 0.088329
H -5.383900 0.248637 -1.357107
H -4.968327 1.024331 0.206345
H -9.191866 2.482173 -0.446589
H -9.101883 1.496911 1.076522
H -9.524391 0.696824 -0.477475


