%chk=000015867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015867

0 1
 O    5.348000     -0.3812000     -0.4738000    
 O   -3.523200      -2.557000      -1.075500    
 O   -2.919300      -2.406500       1.107700    
 C    4.319400      0.4987000     -2.9000000E-03
 C    4.008000     -0.8905000     -0.4786000    
 C    4.068600       1.687400     -0.8788000    
 C    3.763300      -1.988600      0.4844000    
 C    2.613800       2.151300     -0.8022000    
 C    2.321700      -2.043900       1.013700    
 C    2.240200       2.586800      0.6160000    
 C    1.288000      -2.266600     -9.4499998E-02
 C   0.7948000       3.085400      0.6796000    
 C  -0.2373000       2.008100      0.3339000    
 C  -0.1361000      -2.276200      0.4723000    
 C   -1.682100       2.513600      0.3725000    
 C   -2.666200       1.398800      7.4999998E-03
 C   -1.196600      -2.456500     -0.6143000    
 C   -4.128200       1.854700       0.000000    
 C   -5.116800      0.7253000     -0.2925000    
 C   -2.609100      -2.475600     -7.3299997E-02
 C   -6.551000       1.232400     -0.3012000    
 H    4.321600      0.7214000       1.054900    
 H    3.541700      -1.037000      -1.442800    
 H    4.308400       1.450500      -1.922700    
 H    4.738300       2.501500     -0.5781000    
 H    4.438400      -1.899800       1.345200    
 H    4.005800      -2.943100      1.8000000E-03
 H    2.466600       2.985400      -1.498200    
 H    1.977000       1.326900      -1.138000    
 H    2.246700      -2.851700       1.751500    
 H    2.096000      -1.106500       1.537300    
 H    2.350900       1.759300       1.324700    
 H    2.909600       3.390400      0.9451000    
 H    1.357500      -1.470300     -0.8437000    
 H    1.490800      -3.215300     -0.6053000    
 H   0.6736000       3.939700      2.3000001E-03
 H   0.5971000       3.457200       1.692400    
 H  -5.2999999E-02   1.613800     -0.6704000    
 H  -0.1261000       1.169600       1.031900    
 H  -0.2296000      -3.082500       1.210500    
 H  -0.3255000      -1.339500       1.010800    
 H   -1.797600       3.349000     -0.3283000    
 H   -1.912400       2.895400       1.374100    
 H   -2.413500      0.9956000     -0.9810000    
 H   -2.552800      0.5758000      0.7238000    
 H   -1.026200      -3.401400      -1.142000    
 H   -1.123100      -1.632000      -1.332700    
 H   -4.368900       2.298700      0.9741000    
 H   -4.250100       2.648300     -0.7475000    
 H   -4.886800      0.2739000      -1.264400    
 H   -5.015800     -6.1500002E-02  0.4637000    
 H   -6.691300       1.999400      -1.069600    
 H   -7.241800      0.4100000     -0.5118000    
 H   -6.820700       1.663000      0.6683000    
 H   -4.442200      -2.555100     -0.7326000    


%chk=000015867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015867

0 1
O 5.644813 -0.448196 -0.359910
O -3.432907 -2.288420 -1.320487
O -2.949707 -2.344968 0.948808
C 4.491746 0.450462 0.054870
C 4.214732 -0.959185 -0.373979
C 4.195129 1.633544 -0.852008
C 3.876003 -2.053674 0.624545
C 2.700228 2.047634 -0.834104
C 2.390527 -2.028977 1.069499
C 2.197463 2.563061 0.536312
C 1.372489 -2.241091 -0.075255
C 0.735600 3.074571 0.510448
C -0.315607 1.971637 0.243177
C -0.084305 -2.265873 0.435937
C -1.772933 2.482814 0.303853
C -2.814853 1.370903 0.045059
C -1.105161 -2.388683 -0.710866
C -4.277243 1.867992 0.092169
C -5.310526 0.750763 -0.185564
C -2.543481 -2.344431 -0.233932
C -6.770565 1.248587 -0.120310
H 4.494045 0.646669 1.137216
H 3.838692 -1.096213 -1.398959
H 4.494435 1.356189 -1.881050
H 4.826883 2.494353 -0.555326
H 4.530543 -1.925339 1.507718
H 4.120730 -3.041434 0.185735
H 2.543694 2.844465 -1.589586
H 2.087174 1.183178 -1.158451
H 2.237968 -2.815091 1.836269
H 2.175858 -1.060742 1.567252
H 2.280820 1.758151 1.295775
H 2.865119 3.382914 0.873182
H 1.478708 -1.429341 -0.823981
H 1.603353 -3.189723 -0.603989
H 0.639047 3.867633 -0.260740
H 0.503639 3.555929 1.482769
H -0.138872 1.514668 -0.752220
H -0.183042 1.158949 0.989468
H -0.223574 -3.101565 1.147951
H -0.291531 -1.340221 1.007195
H -1.907516 3.295595 -0.440529
H -1.960532 2.938325 1.298779
H -2.620312 0.912176 -0.948443
H -2.682667 0.563418 0.794983
H -0.961391 -3.332578 -1.273855
H -0.973445 -1.576332 -1.452043
H -4.482252 2.312617 1.088480
H -4.415105 2.684175 -0.647856
H -5.110379 0.320716 -1.189867
H -5.161794 -0.066809 0.550378
H -6.948338 2.052584 -0.859366
H -7.489526 0.434356 -0.327858
H -7.004093 1.656725 0.881039
H -4.365283 -2.227869 -0.975033


