%chk=000031792.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031792

0 1
 O   0.1291000      -1.768500       1.178300    
 O   -1.036500     -0.6484000       2.770700    
 C   -2.563100      0.1560000      0.2543000    
 C   -3.028900      -1.266300     -8.5000001E-02
 C   -2.967100       1.141500     -0.8507000    
 C   -1.052800      0.1894000      0.4811000    
 C   -4.528500      -1.315900     -0.3687000    
 C   -4.466900       1.088000      -1.132900    
 C   -4.927600     -0.3288000      -1.461300    
 C  -0.5423000       1.597800      0.8221000    
 C  -0.6777000     -0.7624000       1.606000    
 C   0.9455000       1.640800       1.037800    
 C    1.909700       1.850400      0.1202000    
 C    3.391100       1.922000      0.4254000    
 C    1.539700       2.078500      -1.322800    
 C    4.223100      0.8505000     -0.2913000    
 C    3.795800     -0.5466000      6.4199999E-02
 C    3.438400      -1.543600     -0.7669000    
 C    3.372500      -1.445400      -2.264400    
 C    3.046300      -2.888800     -0.2159000    
 H   -3.069300      0.4601000       1.181800    
 H   -2.484700      -1.639100     -0.9624000    
 H   -2.816200      -1.956900      0.7386000    
 H   -2.413900      0.9240000      -1.773100    
 H   -2.740000       2.173800     -0.5695000    
 H  -0.5479000     -0.1508000     -0.4342000    
 H   -4.813500      -2.330900     -0.6679000    
 H   -5.081600      -1.086600      0.5505000    
 H   -5.016800       1.456600     -0.2582000    
 H   -4.709300       1.756200      -1.967000    
 H   -4.487300     -0.6434000      -2.415600    
 H   -6.015600     -0.3422000      -1.591300    
 H  -0.8119000       2.336500      6.5099999E-02
 H   -1.020100       1.952400       1.745700    
 H    1.260400       1.485500       2.069000    
 H    3.763600       2.914200      0.1411000    
 H    3.553400       1.837500       1.508100    
 H   0.3765000      -2.374800       1.908500    
 H    1.974400       1.301500      -1.958400    
 H    1.927100       3.047400      -1.656100    
 H   0.4683000       2.074300      -1.530300    
 H    5.269100      0.9669000      2.0000000E-02
 H    4.214100       1.035900      -1.367800    
 H    3.806200     -0.7563000       1.133600    
 H    3.995200      -2.224000      -2.718000    
 H    2.341400      -1.590100      -2.603700    
 H    3.717900     -0.4898000      -2.661900    
 H    3.732600      -3.660700     -0.5793000    
 H    3.065800      -2.915000      0.8787000    
 H    2.032000      -3.149000     -0.5358000    


%chk=000031792-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031792

0 1
O -0.091570 -1.970096 1.060534
O -0.869979 -0.588477 2.749715
C -2.610900 0.158731 0.201019
C -3.163843 -1.281326 0.020957
C -3.032519 1.040086 -1.005656
C -1.052888 0.162215 0.394549
C -4.694789 -1.294939 -0.201350
C -4.564410 1.025148 -1.229993
C -5.100397 -0.413778 -1.404435
C -0.491826 1.584667 0.724629
C -0.683013 -0.783474 1.526597
C 1.002743 1.604848 0.985945
C 1.993592 1.941945 0.109488
C 3.455210 1.905171 0.543837
C 1.749230 2.372125 -1.327014
C 4.337846 0.861950 -0.220377
C 3.957474 -0.568780 0.098375
C 3.513314 -1.542268 -0.747347
C 3.321914 -1.370376 -2.244286
C 3.138937 -2.919575 -0.221628
H -3.058806 0.587820 1.123748
H -2.659103 -1.755498 -0.846655
H -2.917465 -1.899082 0.905848
H -2.525316 0.661271 -1.918944
H -2.698848 2.084872 -0.861468
H -0.574793 -0.216874 -0.527964
H -5.042225 -2.335721 -0.350820
H -5.199194 -0.917675 0.712512
H -5.063919 1.495220 -0.357458
H -4.818360 1.642143 -2.113919
H -4.682506 -0.850315 -2.335506
H -6.201504 -0.402275 -1.520517
H -0.748446 2.257097 -0.111317
H -1.025348 1.954015 1.622240
H 1.302424 1.293340 1.997959
H 3.908328 2.907938 0.389402
H 3.515062 1.689616 1.628376
H 0.129932 -2.547773 1.842529
H 2.086765 1.591210 -2.036614
H 2.322653 3.289448 -1.565164
H 0.685565 2.569764 -1.540051
H 5.390921 1.036149 0.085408
H 4.295957 1.061373 -1.306504
H 4.038216 -0.829359 1.166667
H 3.934779 -2.105410 -2.803270
H 2.266296 -1.562146 -2.523595
H 3.592346 -0.364073 -2.603859
H 3.680851 -3.719354 -0.764741
H 3.365856 -3.020832 0.854492
H 2.055456 -3.105288 -0.363974


