%chk=000158144.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158144

0 1
 O   0.5318000      0.9724000      0.9911000    
 O   -1.134800       1.879900     -0.3456000    
 O   -2.261200      -3.521300       1.114000    
 O    1.777300     -0.4307000     -0.3961000    
 O    2.827400       2.578100       1.391300    
 O    5.317300       1.033200       1.084500    
 O    5.297700     -0.4342000      -1.405900    
 O   -5.488000      9.9699996E-02 -0.4707000    
 O   -5.063000       1.985800      -1.692200    
 O    1.587300      -2.103200      -2.569300    
 C   -1.691200      7.2800003E-02   1.259400    
 C   -3.054000     -0.1339000      0.5713000    
 C   -1.399700      -1.343100       1.790200    
 C   -1.826200      -2.258600      0.6365000    
 C   -2.976900      -1.531600     -6.6200003E-02
 C  -0.6653000      0.6725000      0.2755000    
 C   -3.352800      0.9543000     -0.4027000    
 C   1.9400001E-02  -1.618100       2.265500    
 C    1.678100      0.8845000      0.1454000    
 C   -2.438500       1.860300     -0.7620000    
 C    2.911000       1.211400      0.9881000    
 C    4.199900      0.9940000      0.1955000    
 C    4.198000     -0.3664000     -0.5019000    
 C    2.894100     -0.5788000      -1.274700    
 C   -4.706700       1.096600     -0.9384000    
 C    2.819000      -1.975900      -1.882500    
 H   -1.799900      0.7642000       2.106300    
 H   -3.816600     -0.1481000       1.362900    
 H   -2.060100      -1.523400       2.651200    
 H   -1.005300      -2.429700     -6.8999998E-02
 H   -3.929300      -2.063700      3.8800001E-02
 H   -2.763200      -1.472200      -1.140900    
 H  -0.4821000     -5.0500002E-02 -0.5291000    
 H   6.0300000E-02  -2.586800       2.776300    
 H   0.7324000      -1.670400       1.442200    
 H   0.3505000     -0.8563000       2.978000    
 H    1.560100       1.614700     -0.6667000    
 H   -2.625200       2.708200      -1.407400    
 H    2.917800      0.6108000       1.905500    
 H   -2.997800      -3.374600       1.731600    
 H    4.357800       1.800800     -0.5298000    
 H    4.333900      -1.155100      0.2494000    
 H    2.797600      0.1516000      -2.089500    
 H    2.846200      -2.743000      -1.101400    
 H    3.629100      -2.154300      -2.595000    
 H    2.819400       3.128800      0.5899000    
 H    5.196900      0.3371000       1.752900    
 H    5.427100      -1.366400      -1.648200    
 H   -6.406600      0.1613000     -0.8093000    
 H    1.556100      -3.001800      -2.939300    


%chk=000158144-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158144

0 1
O 0.588560 0.684026 0.876209
O -1.036217 1.690978 -0.467717
O -2.769009 -3.619897 1.165693
O 1.970352 -0.727888 -0.387449
O 2.809781 2.638758 1.080152
O 5.407366 1.408620 0.680323
O 5.523986 -0.467931 -1.473053
O -5.729649 0.651780 -0.090302
O -5.111133 2.494870 -1.369812
O 2.139150 -2.505150 -2.750145
C -1.704121 -0.031314 1.260592
C -3.124038 -0.069286 0.609558
C -1.542723 -1.497844 1.769829
C -2.176576 -2.376714 0.643622
C -3.179846 -1.453304 -0.116196
C -0.659476 0.394190 0.226805
C -3.400040 1.133295 -0.264571
C -0.152107 -1.979999 2.215105
C 1.733420 0.670995 -0.011713
C -2.371994 1.924922 -0.710033
C 2.931142 1.208716 0.784683
C 4.196989 1.063029 -0.070291
C 4.389805 -0.383877 -0.553471
C 3.127388 -0.852591 -1.311960
C -4.763173 1.524233 -0.646519
C 3.207719 -2.302359 -1.761223
H -1.657403 0.696583 2.091777
H -3.863874 -0.075381 1.431406
H -2.227701 -1.568697 2.644930
H -1.392038 -2.757805 -0.032203
H -4.198634 -1.876359 -0.114665
H -2.881680 -1.342309 -1.174367
H -0.512124 -0.339486 -0.588086
H -0.226269 -3.027624 2.559672
H 0.580119 -1.935218 1.391118
H 0.242626 -1.367972 3.045993
H 1.534186 1.284512 -0.918353
H -2.534136 2.830892 -1.301644
H 3.018962 0.611309 1.715971
H -3.512816 -3.382492 1.777462
H 4.096012 1.730397 -0.954959
H 4.555959 -1.030040 0.335773
H 2.971067 -0.209095 -2.203990
H 3.074926 -2.966224 -0.881128
H 4.210024 -2.466997 -2.204291
H 1.978277 2.784083 1.598963
H 5.291116 2.323839 1.042811
H 6.282430 0.008124 -1.044146
H -6.627897 0.964011 -0.382132
H 2.192412 -3.427409 -3.104527


