%chk=000112075.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112075

0 1
 O   0.5830000       1.612700      -1.198000    
 O   -3.129200     -0.2035000       1.847400    
 O   -4.385400       1.873100     -4.3499999E-02
 O    6.137800     -0.3029000       1.753300    
 O   -6.004400     -0.7114000       1.373800    
 C    1.089600      0.4698000     -0.4488000    
 C   0.3432000     -0.8248000     -0.8235000    
 C   0.2679000       1.624200      0.1776000    
 C   -1.027600     -0.8933000     -0.1106000    
 C   -1.913000      0.3655000     -0.2495000    
 C    2.659400      0.4714000     -0.4926000    
 C   -1.200600       1.521900      0.4796000    
 C   -3.218400     -0.1512000      0.4266000    
 C   -1.956100      -2.036500     -0.5294000    
 C    1.128700      -2.094900     -0.4530000    
 C   -3.360600      -1.600600     -7.8400001E-02
 C    3.272300     -0.9142000     -0.2724000    
 C    2.560900      -2.053900     -0.9448000    
 C    3.207300       1.439500      0.5941000    
 C   -2.210100      0.7429000      -1.727000    
 C    3.139100      0.9470000      -1.890300    
 C   -4.449700      0.6601000      0.1505000    
 C    4.714000       1.362500      0.7913000    
 C    4.370900      -1.154700      0.4626000    
 C    5.141200     -5.1500000E-02   1.078900    
 C   -5.760200     -9.7300000E-02  0.1261000    
 H   0.2023000     -0.8303000      -1.911900    
 H   0.7467000       2.367800      0.7977000    
 H  -0.8179000      -1.032000      0.9632000    
 H   -1.269400       1.394400       1.565100    
 H   -1.686100       2.478700      0.2553000    
 H   -1.670800      -2.984000     -6.0500000E-02
 H   -1.935400      -2.186400      -1.615200    
 H   0.6357000      -2.973300     -0.8865000    
 H    1.127100      -2.238700      0.6362000    
 H   -4.009300      -1.707000     -0.9522000    
 H   -3.728300      -2.276200      0.7025000    
 H    2.593300      -1.932400      -2.033600    
 H    3.043100      -3.013900     -0.7240000    
 H    2.724000       1.211600       1.555000    
 H    2.947300       2.477200      0.3507000    
 H   -2.655600       1.740100      -1.804100    
 H   -1.316400      0.7577000      -2.353700    
 H   -2.901300      4.1700002E-02  -2.206700    
 H    4.218800      0.8148000      -2.024700    
 H    2.638400      0.3941000      -2.693900    
 H    2.923100       2.010100      -2.047400    
 H    4.995400       1.990000       1.644300    
 H    5.256900       1.721400     -8.8600002E-02
 H    4.759500      -2.158000      0.6011000    
 H   -3.117700      0.7058000       2.190300    
 H   -5.811500     -0.8277000     -0.6817000    
 H   -6.567000      0.6214000     -5.6800000E-02
 H   -6.092700     -5.5000000E-03   2.036900    


%chk=000112075-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112075

0 1
O 0.636353 1.633781 -1.440208
O -3.121394 -0.407100 1.713006
O -4.467098 1.944738 -0.271946
O 6.019984 -0.129413 2.147966
O -5.774132 -1.015418 1.493448
C 1.086634 0.450747 -0.579813
C 0.342674 -0.868584 -0.938154
C 0.264374 1.585251 0.016287
C -1.072778 -0.922399 -0.308156
C -1.945099 0.363095 -0.426343
C 2.662022 0.453662 -0.465916
C -1.227685 1.506412 0.328809
C -3.276414 -0.164433 0.225492
C -2.013889 -2.055060 -0.797342
C 1.091397 -2.149530 -0.477419
C -3.449784 -1.583219 -0.392202
C 3.232730 -0.920869 -0.089484
C 2.604677 -2.117270 -0.764418
C 3.136121 1.524067 0.563557
C -2.232511 0.761664 -1.904062
C 3.227240 0.795881 -1.890915
C -4.513143 0.765489 0.170218
C 4.643932 1.452685 0.877614
C 4.301952 -1.068496 0.757560
C 5.054014 0.057720 1.346099
C -5.828547 0.261330 0.802059
H 0.262395 -0.894173 -2.045000
H 0.788197 2.348053 0.605135
H -0.919402 -1.076208 0.782480
H -1.296020 1.369007 1.431188
H -1.691187 2.484062 0.096744
H -1.770857 -3.027976 -0.337478
H -1.932605 -2.178479 -1.893887
H 0.634326 -3.023984 -0.976662
H 0.941279 -2.288831 0.612012
H -4.128429 -1.541855 -1.262393
H -3.924704 -2.248719 0.343731
H 2.766100 -2.056761 -1.860583
H 3.084369 -3.050785 -0.419866
H 2.582752 1.376317 1.511990
H 2.886545 2.532705 0.183992
H -2.843328 1.677236 -1.936638
H -1.286195 0.962134 -2.427547
H -2.778329 -0.030078 -2.447165
H 4.330040 0.747856 -1.895280
H 2.854093 0.091715 -2.654947
H 2.900558 1.806640 -2.182641
H 4.927095 2.184696 1.654396
H 5.245654 1.698538 -0.020957
H 4.685747 -2.069756 0.992813
H -2.777047 0.418384 2.143551
H -6.569144 0.147550 -0.012065
H -6.198278 1.078284 1.460318
H -4.923058 -1.029005 2.015818


