%chk=000080404.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080404

0 1
 O    4.344900     -9.9999997E-05 -1.6000000E-03
 C    3.011000      -2.509100      8.9900002E-02
 C    3.014900       2.510100     -8.6499996E-02
 C    2.282700      -1.206200      4.3200001E-02
 C    2.284500       1.208300     -4.2300001E-02
 C    2.981100      6.0000003E-04  6.9999998E-04
 C   0.1913000      2.7999999E-03  3.9999999E-04
 C   0.8878000      -1.205000      4.3000001E-02
 C   0.8896000       1.209400     -4.2199999E-02
 C    4.406800      -2.521500     -0.6155000    
 C    3.283600      -2.950400       1.560700    
 C    2.186600      -3.640500     -0.5972000    
 C    2.022300       3.712200     -0.1273000    
 C    3.922800       2.604600      -1.350900    
 C    3.959800       2.789300       1.128100    
 C   -5.537000      3.5000001E-03  2.0999999E-03
 C   -1.255700      2.9000000E-03  1.2000001E-03
 C   -3.999300      3.5000001E-03  1.3000000E-03
 C   -1.953500      -1.064000     -0.5649000    
 C   -1.952900       1.070000      0.5676000    
 C   -3.348400      -1.063700     -0.5650000    
 C   -3.347800       1.070300      0.5678000    
 C   -6.056000      -1.228700      0.7742000    
 C   -6.057400     -5.1300000E-02  -1.450500    
 C   -6.161800       1.252900      0.6637000    
 H   0.3376000      -2.132400      0.1457000    
 H   0.3183000       2.124300     -0.1178000    
 H    4.734400      -3.552300     -0.8046000    
 H    4.371200      -2.022700      -1.590900    
 H    5.211000      -2.094500     -9.3000000E-03
 H    2.345700      -3.053300       2.119100    
 H    3.802500      -3.915100       1.597300    
 H    3.899000      -2.214300       2.090300    
 H    2.778200      -4.560000     -0.6886000    
 H    1.299200      -3.927900     -2.3100000E-02
 H    1.875500      -3.353100      -1.608600    
 H    2.574900       4.660400     -0.1637000    
 H    1.394000       3.703100      -1.026200    
 H    1.392200       3.764000      0.7688000    
 H    3.346400       2.390500      -2.258900    
 H    4.339000       3.613700      -1.457800    
 H    4.772700       1.917200      -1.328600    
 H    4.397400       3.792800       1.070900    
 H    3.401900       2.718700       2.069200    
 H    4.790800       2.080900       1.188100    
 H   -1.455100      -1.900700      -1.047000    
 H   -1.455200       1.905500       1.052400    
 H   -3.870200      -1.900400      -1.016600    
 H   -3.837800       1.918900       1.027500    
 H   -5.760000      -2.172400      0.3033000    
 H   -7.151200      -1.229200      0.8259000    
 H   -5.674500      -1.239800       1.802200    
 H   -5.762900     -0.9718000      -1.966100    
 H   -7.152600     -8.1000002E-03  -1.478900    
 H   -5.676000      0.7920000      -2.038400    
 H   -5.881600       1.341800       1.719900    
 H   -7.257500       1.200800      0.6349000    
 H   -5.879500       2.176600      0.1449000    
 H    4.620700     -0.3156000      0.8773000    


%chk=000080404-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080404

0 1
O 4.461200 0.092223 0.111882
C 3.109757 -2.587614 0.151715
C 3.124741 2.636189 0.007199
C 2.356791 -1.225970 0.094044
C 2.363217 1.284293 0.034951
C 3.046348 0.028826 0.080113
C 0.217697 0.029580 0.020376
C 0.943677 -1.184291 0.063639
C 0.951345 1.242160 0.006130
C 4.007915 -2.781464 -1.114471
C 3.949131 -2.708356 1.466294
C 2.125110 -3.790912 0.162514
C 2.153712 3.847400 -0.047640
C 4.036769 2.713305 -1.255935
C 3.987741 2.790231 1.297462
C -5.713985 -0.010715 -0.101058
C -1.272472 0.030646 -0.006800
C -4.168109 0.027392 -0.052477
C -2.003478 -0.995573 -0.668441
C -2.026320 1.052744 0.627565
C -3.410805 -0.995552 -0.687760
C -3.438023 1.051124 0.603294
C -6.220080 -1.333258 0.551081
C -6.184430 0.040543 -1.586600
C -6.358790 1.179822 0.654206
H 0.382583 -2.120660 0.106238
H 0.397374 2.181579 -0.059785
H 4.520729 -3.760065 -1.066183
H 3.383108 -2.762395 -2.025462
H 4.787472 -2.009059 -1.253510
H 3.282374 -2.642962 2.344670
H 4.465864 -3.685734 1.495212
H 4.718338 -1.924669 1.597372
H 2.703185 -4.732525 0.199863
H 1.460804 -3.771135 1.045052
H 1.499287 -3.817619 -0.747749
H 2.746802 4.780114 -0.062584
H 1.526611 3.836649 -0.958489
H 1.490765 3.887973 0.836770
H 3.430635 2.641212 -2.178346
H 4.571655 3.682191 -1.271529
H 4.781129 1.902352 -1.259919
H 4.520677 3.760028 1.275983
H 3.347614 2.770506 2.199316
H 4.731998 1.983180 1.377689
H -1.460734 -1.785918 -1.200241
H -1.503528 1.845824 1.174869
H -3.927807 -1.803256 -1.219434
H -3.968938 1.858745 1.116134
H -5.820891 -2.222730 0.031469
H -7.324767 -1.382673 0.508628
H -5.909756 -1.392653 1.610358
H -5.784014 -0.807736 -2.170290
H -7.288952 -0.000693 -1.640613
H -5.846890 0.974147 -2.072697
H -6.085498 1.180751 1.725723
H -7.460138 1.106982 0.589358
H -6.061522 2.151318 0.217732
H 4.844172 -0.816340 0.135710


