%chk=000107971.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107971

0 1
 O    3.616500      0.5475000     -0.5182000    
 O    2.860400      -1.657800     -0.4246000    
 O    7.421100     -0.5749000      0.5456000    
 O    6.626000       2.195800      0.7621000    
 O    5.137600      -2.350400       1.106200    
 O    2.765100       3.156200     -0.6790000    
 O   -1.310500     -0.5806000       1.576400    
 O   -3.134500     -0.3260000      -2.064500    
 O   -8.853500      0.9353000      0.3742000    
 C    6.078200     -0.1513000      0.7858000    
 C    5.873800       1.192200      8.5400000E-02
 C    5.108600      -1.206300      0.2531000    
 C    4.394300       1.584000      8.3300002E-02
 C    3.675900     -0.6751000      0.2128000    
 C    4.149900       2.862700     -0.7117000    
 C    1.537300      -1.358300     -0.5602000    
 C   0.7586000      -1.115300      0.5713000    
 C   0.9639000      -1.296500      -1.830800    
 C  -0.5954000     -0.8104000      0.4290000    
 C   -1.168200     -0.7483000     -0.8406000    
 C  -0.3901000     -0.9910000      -1.975600    
 C   -2.600100     -0.4198000     -0.9670000    
 C   -3.343200     -0.1975000      0.3039000    
 C   -2.648400     -0.2962000       1.447200    
 C   -4.784900      9.9100001E-02  0.3218000    
 C   -5.228900       1.422600      0.2848000    
 C   -5.713800     -0.9425000      0.3763000    
 C   -6.595100       1.703300      0.3024000    
 C   -7.079900     -0.6617000      0.3937000    
 C   -7.520700      0.6612000      0.3568000    
 H    5.974600     -4.7600001E-02   1.873000    
 H    6.258800       1.119600     -0.9402000    
 H    5.428300      -1.539700     -0.7422000    
 H    4.030000       1.746100       1.107000    
 H    3.318300     -0.5168000       1.238800    
 H    4.442300       2.745300      -1.760300    
 H    4.684700       3.717400     -0.2891000    
 H    8.010600      0.1216000      0.8819000    
 H    6.683500       2.969800      0.1773000    
 H    4.501500      -2.994600      0.7508000    
 H    2.293100       2.391100      -1.050100    
 H    1.189900      -1.178100       1.566800    
 H    1.569000      -1.484700      -2.713600    
 H  -0.8168000     -0.9470000      -2.973600    
 H   -3.083700     -0.1592000       2.429500    
 H   -4.520000       2.246000      0.2413000    
 H   -5.386200      -1.979000      0.4048000    
 H   -6.925600       2.738200      0.2731000    
 H   -7.796200      -1.477700      0.4360000    
 H   -8.977400       1.899500      0.3435000    


%chk=000107971-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107971

0 1
O 3.741249 0.918422 -0.300223
O 2.885400 -1.054664 -1.255385
O 7.493394 -0.881291 -0.020948
O 6.998955 1.484907 1.514293
O 5.099381 -2.572524 -0.119869
O 2.970012 3.347282 0.844650
O -1.158901 0.591001 0.915676
O -3.532627 -1.272742 -1.987541
O -9.044724 0.641799 0.945520
C 6.173701 -0.489915 0.463522
C 6.057486 1.049679 0.464800
C 5.131783 -1.149748 -0.448645
C 4.613458 1.506110 0.754158
C 3.733075 -0.545977 -0.202919
C 4.380135 3.017943 0.654762
C 1.488312 -0.914304 -1.135785
C 0.853266 -0.187987 -0.110478
C 0.734805 -1.569697 -2.150205
C -0.556657 -0.147524 -0.116827
C -1.345740 -0.785939 -1.105098
C -0.661414 -1.500592 -2.128189
C -2.828530 -0.711949 -1.082969
C -3.408110 0.049860 0.060010
C -2.548784 0.662912 0.949660
C -4.875807 0.172153 0.260838
C -5.771275 0.240660 -0.841927
C -5.427222 0.241773 1.573465
C -7.156801 0.399056 -0.641882
C -6.807940 0.402242 1.785259
C -7.675906 0.486105 0.672252
H 6.010791 -0.844717 1.505438
H 6.368221 1.431741 -0.531005
H 5.405842 -0.972628 -1.508655
H 4.286629 1.141463 1.752639
H 3.346960 -0.856596 0.795123
H 4.751810 3.384104 -0.327331
H 4.914589 3.539004 1.466647
H 8.158053 -0.489835 0.602900
H 7.271360 2.422787 1.358172
H 4.605896 -3.048465 -0.834570
H 2.453453 2.837639 0.167197
H 1.400871 0.358843 0.659847
H 1.270181 -2.117290 -2.930616
H -1.270460 -1.993320 -2.892277
H -2.870286 1.294547 1.780005
H -5.378040 0.156362 -1.856747
H -4.772038 0.133259 2.445654
H -7.828404 0.450552 -1.508845
H -7.230303 0.445260 2.793272
H -9.570399 0.670441 0.107775


