%chk=000014435.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014435

0 1
 O   0.9213000     -0.7928000     -0.1322000    
 O  -0.6540000      -2.429000     -0.5682000    
 O   -7.388600      0.2033000      0.4371000    
 O   -5.896900      0.9616000       2.015600    
 O    4.490900      -2.121600       2.075500    
 C   -1.836300      0.6791000      -1.047400    
 C   -2.741600     -0.4139000     -0.5605000    
 C   -1.371900     -0.2546000      3.1599998E-02
 C   -1.271100      0.5388000      -2.420900    
 C   -2.109000       2.094000     -0.6578000    
 C   -3.897600     -9.9500000E-02  0.2656000    
 C  -0.3447000      -1.287300     -0.2583000    
 C   -5.129800      0.2466000     -0.1546000    
 C    1.973000      -1.714100     -0.3914000    
 C   -5.522900      0.3685000      -1.598200    
 C    2.406000      -2.405500      0.8957000    
 C    3.198600     -0.9858000     -0.8730000    
 C   -6.149400      0.5200000      0.9033000    
 C    4.247100      -1.057100     -4.1400000E-02
 C    3.796700      -1.880400       1.098600    
 C    3.136900     -0.2717000      -2.182500    
 C    5.612600     -0.4866000     -0.1097000    
 C    5.716000      0.8378000      0.5938000    
 C   -8.469600      0.4164000       1.351200    
 C    6.123300       1.970600      1.6000000E-03
 C    6.230100       3.289300      0.7086000    
 C    4.930800       4.074100      0.6177000    
 H   -2.904600      -1.260600      -1.221200    
 H   -1.300000      0.1496000       1.037900    
 H   -1.916900       1.037500      -3.152200    
 H   -1.172900     -0.5043000      -2.740400    
 H  -0.2793000      0.9999000      -2.477900    
 H   -1.212100       2.707300     -0.7999000    
 H   -2.906100       2.518200      -1.277900    
 H   -2.404900       2.203700      0.3913000    
 H   -3.728100     -0.1773000       1.338800    
 H    1.678300      -2.454800      -1.146000    
 H   -6.222500     -0.4275000      -1.873200    
 H   -6.007000       1.334400      -1.777300    
 H   -4.667000      0.3060000      -2.276600    
 H    1.776300      -2.149800       1.752400    
 H    2.458200      -3.491000      0.7659000    
 H    2.361800      0.5008000      -2.159700    
 H    4.082000      0.2175000      -2.434600    
 H    2.900600     -0.9756000      -2.986800    
 H    6.328400      -1.181200      0.3470000    
 H    5.927300     -0.3938000      -1.156100    
 H    5.465200      0.8561000       1.652200    
 H   -8.338700     -0.2032000       2.243400    
 H   -8.534200       1.474900       1.620800    
 H   -9.398000      0.1237000      0.8535000    
 H    6.374900       1.961700      -1.055900    
 H    6.489300       3.136700       1.763100    
 H    7.049400       3.867100      0.2660000    
 H    4.104600       3.533200       1.091700    
 H    5.036600       5.038800       1.124200    
 H    4.657500       4.268100     -0.4251000    


%chk=000014435-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014435

0 1
O 0.653998 -0.470172 -0.237762
O -0.472561 -1.556737 -1.984209
O -7.057284 -0.428965 1.276867
O -5.848435 1.547758 1.514862
O 3.817832 -2.594950 2.540950
C -2.096011 1.195855 -2.133073
C -2.897254 0.160198 -1.312759
C -1.397829 0.466980 -0.949376
C -1.742698 0.822921 -3.571402
C -2.357915 2.688576 -1.931266
C -3.955524 0.534125 -0.357651
C -0.408492 -0.619274 -1.148412
C -5.055274 -0.212387 -0.017012
C 1.732524 -1.517575 -0.266720
C -5.400127 -1.586346 -0.551521
C 1.816253 -2.241863 1.089772
C 3.080490 -0.827778 -0.449812
C -5.976551 0.415361 0.979120
C 3.957696 -1.166088 0.552713
C 3.281314 -2.066067 1.529780
C 3.320919 0.072271 -1.625382
C 5.398052 -0.738927 0.742872
C 5.524658 0.695114 1.239538
C -8.023292 0.106247 2.262556
C 6.274899 1.659353 0.645697
C 6.416658 3.084583 1.139863
C 5.965189 4.127324 0.084260
H -3.006978 -0.804782 -1.819675
H -1.220330 1.072526 -0.056606
H -2.583435 1.083708 -4.240889
H -1.527784 -0.252542 -3.680254
H -0.853157 1.387059 -3.910671
H -1.492393 3.275150 -2.290474
H -3.246718 3.004113 -2.508788
H -2.528770 2.957923 -0.875234
H -3.865374 1.510315 0.139676
H 1.493722 -2.192456 -1.110763
H -5.487736 -2.315761 0.273401
H -6.380934 -1.575887 -1.060153
H -4.643404 -1.956205 -1.261707
H 1.148968 -1.760248 1.826367
H 1.545691 -3.309960 1.041210
H 2.616248 0.925674 -1.599991
H 4.345919 0.474149 -1.636162
H 3.132150 -0.462574 -2.576871
H 5.842726 -1.426272 1.490543
H 5.970025 -0.854468 -0.197367
H 4.965198 0.934472 2.156510
H -7.518218 0.312125 3.221425
H -8.474798 1.040774 1.888539
H -8.779374 -0.683870 2.372988
H 6.832893 1.410300 -0.273023
H 5.832628 3.216162 2.070702
H 7.477506 3.281243 1.400070
H 4.895522 3.999115 -0.161768
H 6.113251 5.157811 0.456171
H 6.543723 4.019171 -0.852498


