%chk=000041919.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041919

0 1
 O   -1.432200      -1.401200      -2.828200    
 C    2.416700      -1.431800      0.8413000    
 C    1.949200      -2.885900      0.7522000    
 C    3.894100      -1.293200      0.4560000    
 C   0.4990000      -3.088000       1.205800    
 C  -0.1491000       2.141000     -0.2751000    
 C   0.7171000       3.406000     -0.2288000    
 C   -1.591300       2.450000      0.1375000    
 C    4.401200      0.1494000      0.5623000    
 C  -0.5670000      -2.373000      0.3706000    
 C    2.172000       3.162900     -0.6507000    
 C   -2.507500       1.223600      8.7300003E-02
 C    3.630000       1.093200     -0.3164000    
 C    2.997700       2.184600      0.1402000    
 C  -0.6179000      -2.842300      -1.078500    
 C   -3.926900       1.520600      0.5790000    
 C   -4.792400      0.2966000      0.5122000    
 C   -1.672600      -2.078900      -1.834200    
 C   -5.420200     -0.2340000       1.567400    
 H    2.266800      -1.057900       1.861300    
 H    1.803000     -0.8178000      0.1744000    
 H    2.085100      -3.262000     -0.2677000    
 H    2.591400      -3.503000       1.393500    
 H    4.039700      -1.658700     -0.5685000    
 H    4.505200      -1.928400       1.108800    
 H   0.4046000      -2.755600       2.247200    
 H   0.2832000      -4.163700       1.205800    
 H  -0.1367000       1.722800      -1.288700    
 H   0.2624000       1.379000      0.3968000    
 H   0.2844000       4.170000     -0.8863000    
 H   0.7038000       3.817100      0.7883000    
 H   -1.593200       2.858900       1.155600    
 H   -2.000400       3.228500     -0.5183000    
 H    4.364000      0.4699000       1.610500    
 H    5.454900      0.1776000      0.2605000    
 H  -0.4069000      -1.289800      0.4063000    
 H   -1.545900      -2.543800      0.8372000    
 H    2.694000       4.128000     -0.6137000    
 H    2.175300       2.863600      -1.707100    
 H   -2.073300      0.4288000      0.7058000    
 H   -2.542000      0.8437000     -0.9415000    
 H    3.585100      0.8592000      -1.377000    
 H    3.061200       2.404200       1.204800    
 H   0.3396000      -2.681400      -1.583100    
 H  -0.8625000      -3.907700      -1.136300    
 H   -3.887300       1.915000       1.601500    
 H   -4.376800       2.300100     -4.7400001E-02
 H   -4.922300     -0.1716000     -0.4601000    
 H   -2.703300      -2.176100      -1.451700    
 H   -6.038100      -1.117600       1.451400    
 H   -5.329800      0.1980000       2.557900    


%chk=000041919-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041919

0 1
O -2.458284 -1.681145 -2.182357
C 2.496484 -1.505269 0.803486
C 2.007415 -2.961852 0.624221
C 3.898933 -1.271086 0.200345
C 0.662069 -3.272679 1.326791
C -0.057552 2.335280 -0.264318
C 0.833359 3.578770 -0.053647
C -1.531474 2.557662 0.142885
C 4.435429 0.173304 0.407993
C -0.569934 -2.519386 0.766365
C 2.293527 3.385937 -0.551668
C -2.391968 1.287420 -0.034692
C 3.646548 1.227283 -0.343392
C 3.057664 2.320550 0.209010
C -0.917647 -2.906764 -0.697834
C -3.893530 1.504330 0.290261
C -4.724848 0.263660 0.035535
C -2.252023 -2.324164 -1.124005
C -5.526749 -0.348419 0.944422
H 2.522016 -1.260822 1.886824
H 1.782405 -0.795015 0.341564
H 1.935748 -3.196679 -0.457666
H 2.779952 -3.646062 1.032303
H 3.874940 -1.499213 -0.885912
H 4.614292 -1.987657 0.654087
H 0.762729 -3.028613 2.404260
H 0.465160 -4.363525 1.269659
H -0.018034 2.034347 -1.332341
H 0.362500 1.484179 0.310337
H 0.386710 4.444006 -0.585419
H 0.845038 3.846313 1.023759
H -1.578647 2.896234 1.199313
H -1.960818 3.380494 -0.466993
H 4.443051 0.413294 1.490113
H 5.492692 0.201269 0.068815
H -0.407255 -1.426225 0.825159
H -1.445398 -2.739884 1.410967
H 2.825301 4.356003 -0.453436
H 2.283219 3.136133 -1.631359
H -1.995404 0.480580 0.616194
H -2.297683 0.920304 -1.076614
H 3.563816 1.076980 -1.433106
H 3.132662 2.469024 1.299614
H -0.136770 -2.592251 -1.411114
H -1.002388 -4.014689 -0.753577
H -4.012627 1.833271 1.341466
H -4.268783 2.332331 -0.349061
H -4.642897 -0.159103 -0.979426
H -3.087439 -2.501071 -0.395605
H -6.106478 -1.243611 0.690488
H -5.633929 0.035125 1.967405


