%chk=000221038.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221038

0 1
O 0.310393 0.253103 -0.452348
O 1.314172 2.216970 0.126922
C -1.970334 0.153549 0.333067
C -2.202615 1.149057 1.557894
C -1.392717 -1.182107 0.891197
C -1.340128 -2.466111 0.015928
C -3.310999 -0.124695 -0.367987
C -0.999400 0.786295 -0.659801
C -2.715683 2.518875 1.074430
C -0.894551 1.387802 2.333572
C -3.249365 0.557381 2.527058
C -0.294788 -3.411650 0.663964
C -0.909601 -2.184503 -1.430960
C -2.694760 -3.205930 0.016679
C -1.154210 1.599282 -1.725507
C 0.019501 2.001363 -2.569937
C -2.447739 2.189355 -2.185683
C 1.389442 1.031632 -0.101461
C 2.599002 0.167982 -0.051134
C 3.779623 0.703631 0.486196
C 2.572174 -1.149027 -0.533305
C 4.931750 -0.084193 0.541607
C 3.727449 -1.930663 -0.475070
C 4.905329 -1.398631 0.062100
H -0.357186 -0.968145 1.236269
H -1.960684 -1.435967 1.812454
H -3.864645 0.799687 -0.585037
H -3.150485 -0.651450 -1.319234
H -3.957271 -0.754478 0.253489
H -1.964033 3.033879 0.462867
H -3.631601 2.430368 0.482590
H -2.936308 3.175231 1.922808
H -0.407214 0.456482 2.633415
H -0.176303 1.964809 1.733849
H -1.074806 1.968360 3.243995
H -4.244108 0.511142 2.075179
H -2.975893 -0.459439 2.837740
H -3.333869 1.165190 3.433388
H -0.202905 -4.345033 0.101402
H 0.697385 -2.951620 0.699066
H -0.572758 -3.674231 1.688592
H 0.078246 -1.693805 -1.456644
H -1.612957 -1.508750 -1.933135
H -0.847189 -3.101281 -2.021744
H -3.462782 -2.655214 -0.532758
H -2.606805 -4.188777 -0.457512
H -3.065672 -3.365576 1.032946
H -0.280393 2.383634 -3.552304
H 0.595388 2.799577 -2.070051
H 0.705071 1.161639 -2.747052
H -2.350351 3.275354 -2.329687
H -2.751617 1.754705 -3.148380
H -3.280111 2.035535 -1.480149
H 3.787698 1.732794 0.854626
H 1.635010 -1.552658 -0.950866
H 5.850495 0.326355 0.957917
H 3.711237 -2.953650 -0.847749
H 5.806276 -2.010535 0.106789


%chk=000221038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221038

0 1
O 0.360880 0.241926 -0.427848
O 1.223739 2.412816 -0.162100
C -1.985985 0.109762 0.365623
C -1.960574 1.019106 1.716694
C -1.539690 -1.359850 0.746010
C -1.684538 -2.597264 -0.220723
C -3.445993 0.065551 -0.170010
C -1.010924 0.680235 -0.697751
C -2.038605 2.528332 1.349969
C -0.678652 0.810409 2.576071
C -3.174072 0.683387 2.636105
C -0.790654 -3.714168 0.400146
C -1.185167 -2.330598 -1.665735
C -3.135348 -3.157882 -0.281053
C -1.188906 1.380680 -1.859713
C -0.037567 1.616543 -2.828664
C -2.479033 2.023817 -2.343657
C 1.391044 1.170778 -0.202000
C 2.702653 0.483040 0.001502
C 3.837901 1.291397 0.272101
C 2.840160 -0.928208 -0.061036
C 5.097928 0.694546 0.478912
C 4.103253 -1.521359 0.146622
C 5.233281 -0.713232 0.416766
H -0.474565 -1.311521 1.026826
H -2.093104 -1.629622 1.668502
H -3.946093 1.046427 -0.124417
H -3.482051 -0.287684 -1.213584
H -4.043678 -0.627768 0.442989
H -1.134917 2.857295 0.808251
H -2.920359 2.758786 0.723433
H -2.126950 3.131395 2.273705
H -0.607166 -0.215008 2.978741
H 0.245434 1.030960 2.020988
H -0.712307 1.502159 3.439388
H -4.137251 0.979619 2.185625
H -3.227987 -0.391975 2.887735
H -3.070102 1.239365 3.586956
H -0.875803 -4.652742 -0.179680
H 0.274659 -3.413091 0.408831
H -1.089024 -3.930307 1.444169
H -0.150675 -1.943300 -1.667571
H -1.817534 -1.593555 -2.190995
H -1.204791 -3.271574 -2.249043
H -3.823648 -2.489609 -0.823255
H -3.139425 -4.133179 -0.805502
H -3.543391 -3.320830 0.735351
H -0.422521 1.635951 -3.865311
H 0.445758 2.593292 -2.633177
H 0.739686 0.836594 -2.765050
H -2.238032 3.020374 -2.761074
H -2.932352 1.437222 -3.168185
H -3.237267 2.167026 -1.565574
H 3.707441 2.377695 0.316029
H 1.960391 -1.542376 -0.271389
H 5.971718 1.321001 0.688151
H 4.208697 -2.610636 0.098534
H 6.212882 -1.177250 0.577870


