%chk=000084038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084038

0 1
 O   0.8285000       1.648600      -1.258600    
 O    4.461700     -0.3880000       1.064600    
 O    3.519000       1.284700     -0.9241000    
 O   -5.116000       2.469800      0.1152000    
 O   -4.759800      0.4773000      -1.779500    
 O  -0.7624000      -4.758200     -0.7948000    
 O    3.586300       3.074800      0.5829000    
 N  -0.4154000      -2.461500     -0.6516000    
 C   -1.426700      -2.173500      0.3475000    
 C  -0.9306000      -2.481200       1.778600    
 C  -0.1152000      -1.402500       2.503600    
 C   -1.980800     -0.7658000      0.1079000    
 C   0.8499000     -0.6701000       1.609000    
 C   0.3634000      0.1914000      0.6033000    
 C   -1.108400      0.3737000      0.4341000    
 C    1.270200      0.8416000     -0.2485000    
 C    2.231300     -0.8534000       1.752600    
 C   -3.196200     -0.6728000     -0.4624000    
 C   -1.535500       1.622700      0.7015000    
 C    2.643000      0.6507000     -9.2799999E-02
 C    3.122300     -0.1933000      0.9066000    
 C   -3.982900      0.5281000     -0.8276000    
 C  -0.1753000      -3.733700      -1.133100    
 C   -2.877200       2.142400      0.7238000    
 C   -3.947700       1.727300      4.1499998E-02
 C   0.9075000      -3.747300      -2.178600    
 C   0.5963000       1.031600      -2.521300    
 C    5.050700      -1.461800      0.3340000    
 C    3.938500       2.541200     -0.4607000    
 C   -5.933700       2.003200       1.167400    
 C    4.895000       3.154000      -1.440200    
 H   -2.226400      -2.906000      0.1669000    
 H   -1.801100      -2.706300       2.409500    
 H  -0.3348000      -3.403700       1.756200    
 H  -0.7904000     -0.6730000       2.970000    
 H   0.4182000      -1.867300       3.342500    
 H   0.1327000      -1.699200      -1.037600    
 H    2.615700      -1.517100       2.523600    
 H   -3.707100      -1.591600     -0.7498000    
 H  -0.8081000       2.383200      0.9912000    
 H   -2.977900       3.048500       1.321100    
 H    1.178300      -4.779800      -2.416000    
 H   0.5474000      -3.252500      -3.084800    
 H    1.796100      -3.227900      -1.808100    
 H  -0.2221000      0.3087000      -2.456200    
 H    1.502400      0.5379000      -2.886800    
 H   0.3138000       1.810600      -3.234800    
 H    6.120500      -1.483200      0.5591000    
 H    4.610100      -2.417500      0.6350000    
 H    4.922500      -1.311600     -0.7427000    
 H   -6.849000       2.602600       1.179900    
 H   -5.442300       2.121400       2.139600    
 H   -6.220200      0.9563000       1.016800    
 H    4.397200       3.294200      -2.402800    
 H    5.219700       4.129900      -1.068500    
 H    5.772500       2.512100      -1.549500    


%chk=000084038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084038

0 1
O 1.167296 1.370870 -1.155261
O 4.630861 -0.915825 1.479777
O 3.798350 0.799241 -0.843711
O -4.779572 2.729883 0.493518
O -5.431209 0.082198 -0.348296
O -1.886378 -3.717069 -2.080712
O 3.623997 2.932917 0.122087
N -0.390614 -2.631590 -0.659525
C -1.400100 -2.371655 0.389658
C -0.905495 -2.817112 1.799104
C -0.087453 -1.748921 2.578155
C -1.917331 -0.911229 0.376728
C 0.948809 -1.051874 1.714044
C 0.504630 -0.157159 0.687326
C -0.952926 0.163467 0.522263
C 1.495307 0.471166 -0.115881
C 2.323931 -1.261584 1.925696
C -3.296472 -0.787772 0.199215
C -1.276690 1.531553 0.562579
C 2.880339 0.243933 0.097980
C 3.311543 -0.605291 1.148227
C -4.235659 0.327224 0.068132
C -0.714267 -3.298731 -1.834797
C -2.527154 2.202294 0.540570
C -3.835658 1.720590 0.404257
C 0.444055 -3.503174 -2.808562
C 0.556106 0.747029 -2.351684
C 5.712976 0.045577 1.188048
C 3.984343 2.219648 -0.827223
C -6.220103 2.475290 0.748931
C 4.677362 2.648162 -2.095605
H -2.242750 -3.025642 0.105194
H -1.788657 -3.089309 2.407643
H -0.306880 -3.738033 1.664639
H -0.789304 -0.992950 2.980285
H 0.397721 -2.230095 3.446076
H 0.568525 -2.317839 -0.505241
H 2.670581 -1.918370 2.729451
H -3.838897 -1.730035 0.035047
H -0.418349 2.204564 0.673304
H -2.479760 3.290574 0.676750
H 0.604519 -4.585477 -2.954634
H 0.166144 -3.081458 -3.789865
H 1.390514 -3.044645 -2.472293
H -0.350557 0.174637 -2.085161
H 1.289944 0.084617 -2.849776
H 0.288508 1.583611 -3.014149
H 6.559101 -0.299834 1.801096
H 5.982844 0.024182 0.119297
H 5.421631 1.068447 1.488669
H -6.633023 3.484211 0.901896
H -6.346562 1.864249 1.659500
H -6.681188 1.957445 -0.102398
H 3.936638 2.669021 -2.915619
H 5.100509 3.655564 -1.972151
H 5.463425 1.929212 -2.378500


