%chk=000194240.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194240

0 1
O 3.381801 0.148410 1.856684
O -3.525716 3.014559 0.029453
O -0.345010 -2.575845 -0.294874
O -5.748557 -0.567683 1.532265
O 5.203472 0.356886 -1.081852
O 6.340674 -1.817523 0.060782
C -0.350113 0.994295 -0.289133
C 1.050230 1.178206 0.310265
C -0.962951 -0.311090 0.298474
C 1.985349 -0.004850 -0.096909
C -2.394475 -0.566560 -0.282504
C -3.277804 0.671547 0.064349
C 3.355425 0.511370 0.468602
C -1.245509 2.202267 0.014086
C 1.863258 2.432961 -0.048518
C 1.438274 -1.276544 0.554615
C -2.675653 1.972496 -0.498941
C -0.006706 -1.492414 0.125463
C 3.325500 2.045266 0.267690
C -3.032402 -1.787919 0.429603
C -4.724564 0.492963 -0.416399
C 2.109232 -0.203209 -1.611125
C -2.309321 -0.819482 -1.793232
C -4.491506 -2.018641 0.029211
C -5.377399 -0.770451 0.159646
C 4.586275 -0.156434 -0.177508
C 4.986552 -1.512531 0.377941
H -0.272481 0.881554 -1.400797
H 0.949827 1.162654 1.428704
H -1.074033 -0.171324 1.405951
H -3.306704 0.781435 1.179609
H -1.280449 2.405400 1.103485
H -0.819093 3.114738 -0.440812
H 1.541458 3.310713 0.534183
H 1.746638 2.703225 -1.112164
H 1.511023 -1.209837 1.662123
H 2.040368 -2.167708 0.288407
H -2.727329 2.012700 -1.607322
H 4.002521 2.342709 -0.558930
H 3.694605 2.566796 1.166111
H -2.961294 -1.668691 1.525804
H -2.445840 -2.702794 0.189620
H -5.314249 1.385746 -0.109652
H -4.770359 0.465405 -1.520349
H 1.124816 -0.313180 -2.086083
H 2.608594 0.641732 -2.102974
H 2.676230 -1.106957 -1.863759
H -3.304012 -0.935109 -2.237788
H -1.802791 -0.010176 -2.325776
H -1.759315 -1.750520 -1.997289
H -4.539191 -2.391435 -1.012444
H -4.920401 -2.825473 0.658396
H -6.376077 -0.946041 -0.307785
H 3.833526 0.833485 2.393370
H -3.267029 3.884368 -0.321967
H 4.330539 -2.312236 -0.021629
H 4.949347 -1.541615 1.489189
H -4.971092 -0.338759 2.074767
H 6.567993 -1.467952 -0.838636


%chk=000194240-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194240

0 1
O 3.149104 0.256515 1.960406
O -3.566264 3.062008 0.116029
O -0.284066 -2.578718 -0.793958
O -5.527934 -0.645438 1.879111
O 5.277174 0.141806 -0.962845
O 6.239556 -2.061185 0.219013
C -0.344647 0.998944 -0.427710
C 1.065336 1.160930 0.171613
C -0.968483 -0.358703 0.073560
C 2.030770 -0.011765 -0.199105
C -2.443586 -0.583132 -0.411041
C -3.288920 0.656932 0.072878
C 3.349849 0.508522 0.513044
C -1.258117 2.181290 -0.025980
C 1.883059 2.432908 -0.156368
C 1.443544 -1.331110 0.363528
C -2.725071 1.988375 -0.456197
C 0.018520 -1.520882 -0.178898
C 3.357968 2.035760 0.184948
C -3.044097 -1.840233 0.301166
C -4.801438 0.501416 -0.222151
C 2.261781 -0.154608 -1.725703
C -2.500322 -0.767979 -1.953937
C -4.557335 -2.029500 0.039866
C -5.389767 -0.781226 0.407111
C 4.620638 -0.216203 0.057620
C 5.096833 -1.436320 0.846238
H -0.271879 0.971822 -1.533609
H 0.954652 1.120029 1.276671
H -1.005328 -0.264124 1.186616
H -3.165135 0.712787 1.181428
H -1.244371 2.302455 1.077175
H -0.859231 3.120192 -0.462475
H 1.544908 3.304927 0.428898
H 1.788716 2.698185 -1.226047
H 1.421416 -1.269068 1.468401
H 2.030851 -2.217815 0.066340
H -2.800405 2.016653 -1.565969
H 4.040306 2.222731 -0.661422
H 3.749511 2.607455 1.048335
H -2.870535 -1.744345 1.396180
H -2.499338 -2.742251 -0.023805
H -5.336147 1.381687 0.172857
H -4.973429 0.481415 -1.316431
H 1.310431 -0.361096 -2.245708
H 2.712974 0.745945 -2.174494
H 2.934947 -1.002107 -1.944374
H -3.540721 -0.833774 -2.314982
H -2.023190 0.067714 -2.497572
H -1.982822 -1.699144 -2.237697
H -4.725543 -2.270935 -1.028111
H -4.932701 -2.889589 0.624662
H -6.436447 -0.913664 0.081562
H 3.706317 0.892567 2.476507
H -3.238581 3.936321 -0.215186
H 4.260578 -2.159484 0.935762
H 5.351331 -1.124251 1.879450
H -4.643447 -0.413038 2.260746
H 6.472327 -1.513703 -0.584245


