%chk=000006818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006818

0 1
 O  -0.1363000      0.6199000      -1.207500    
 O   -1.135100      -1.162600       1.284200    
 O   -1.437900      -1.024300      -2.157200    
 O  -0.6019000      0.8731000       2.217100    
 C    2.251500      0.9495000      -1.501600    
 C    2.640000      0.6884000     -3.0999999E-02
 C    3.409400      0.7529000      -2.505800    
 C    3.770200       1.591100      0.4743000    
 C    1.016900      0.1060000      -1.859700    
 C    4.159300       1.312400       1.928700    
 C    4.013500     -0.6445000      -2.531400    
 C    5.298400       2.187500       2.428600    
 C   -1.302700     -4.2300001E-02  -1.443800    
 C   -2.426600      0.5915000     -0.7092000    
 C   -2.417400      0.6932000      0.6821000    
 C  -4.4000000E-02  -3.268500       1.670100    
 C   -3.506500       1.090400      -1.437700    
 C   0.1943000      -3.501900      0.1810000    
 C  -6.9300003E-02  -1.785000       2.009600    
 C   -1.304600      0.1810000       1.471100    
 C   -3.488100       1.293600       1.344500    
 C   -4.577100       1.690900     -0.7752000    
 C   -4.567900       1.792500      0.6157000    
 C   0.2619000      -4.984900     -0.1468000    
 H    1.952400       2.005300      -1.567500    
 H    2.922200     -0.3627000      0.1035000    
 H    1.763900      0.8542000      0.6077000    
 H    4.203600       1.481500      -2.308600    
 H    3.040400      0.9860000      -3.512900    
 H    3.469300       2.640900      0.3734000    
 H    4.663500       1.453300     -0.1443000    
 H   0.8464000      0.1492000      -2.942300    
 H    1.167800     -0.9409000      -1.572300    
 H    3.285500       1.464400       2.573400    
 H    4.451000      0.2604000       2.031600    
 H    3.260300      -1.402300      -2.765700    
 H    4.476400     -0.8985000      -1.573500    
 H    4.791900     -0.7000000      -3.299500    
 H    5.533000       1.948300       3.470400    
 H    5.029000       3.247000       2.374000    
 H    6.201800       2.031400       1.830700    
 H   0.7396000      -3.760200       2.257800    
 H   -1.003200      -3.720600       1.950500    
 H  -0.6091000      -3.049300     -0.4097000    
 H    1.132700      -3.025200     -0.1250000    
 H  -0.2409000      -1.656600       3.084200    
 H   0.8827000      -1.315400       1.738500    
 H   -3.525200       1.018600      -2.522100    
 H   -3.494600       1.378000       2.428300    
 H   -5.417700       2.079600      -1.342400    
 H   -5.401600       2.259800       1.131500    
 H  -0.6736000      -5.488100      0.1177000    
 H   0.4339000      -5.128700      -1.218000    
 H    1.079100      -5.470100      0.3964000    


%chk=000006818-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006818

0 1
O -0.143577 0.512844 -1.152534
O -0.939115 -1.077156 1.154681
O -1.591602 -0.732494 -2.494493
O -0.703920 0.770291 2.561769
C 2.245655 0.847918 -1.547196
C 2.586608 0.667258 -0.044585
C 3.431000 0.533754 -2.508518
C 3.731766 1.567126 0.470751
C 1.018814 0.014111 -1.948215
C 3.920476 1.461048 2.002173
C 3.984522 -0.909233 -2.438199
C 5.055578 2.362068 2.533971
C -1.397182 0.026312 -1.514370
C -2.473786 0.620387 -0.656452
C -2.345963 0.807267 0.748729
C 0.067060 -3.267040 1.514256
C -3.639740 1.077567 -1.317427
C 0.434236 -3.520049 0.033841
C 0.117682 -1.797165 1.931322
C -1.236017 0.219833 1.567301
C -3.350692 1.515054 1.452568
C -4.650245 1.756283 -0.603895
C -4.495907 1.993354 0.781553
C 0.402183 -5.019072 -0.330985
H 1.973542 1.913517 -1.703101
H 2.841003 -0.396396 0.152614
H 1.675476 0.887556 0.544570
H 4.252090 1.243919 -2.294234
H 3.108725 0.746435 -3.548451
H 3.516914 2.623213 0.203344
H 4.686411 1.304767 -0.029458
H 0.776207 0.121167 -3.021780
H 1.142492 -1.060868 -1.722128
H 2.967357 1.724842 2.503168
H 4.129675 0.404496 2.269936
H 3.221118 -1.660950 -2.711366
H 4.354494 -1.154989 -1.426171
H 4.830943 -1.031126 -3.138417
H 5.169029 2.266491 3.629520
H 4.854186 3.426220 2.307394
H 6.024580 2.098216 2.068954
H 0.769149 -3.823798 2.169133
H -0.945286 -3.665764 1.720357
H -0.267782 -2.963140 -0.614891
H 1.447998 -3.111222 -0.162804
H -0.088224 -1.654404 3.007587
H 1.089629 -1.325936 1.694635
H -3.732281 0.905855 -2.394564
H -3.225813 1.668156 2.529261
H -5.544847 2.109008 -1.127727
H -5.268152 2.534554 1.338213
H -0.606341 -5.443300 -0.168435
H 0.665666 -5.179203 -1.392183
H 1.114706 -5.598380 0.286879


