%chk=000194357.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194357

0 1
O 1.224190 -1.363275 1.484256
O -1.498017 2.468634 1.280417
O 4.967397 -1.965832 -1.163951
O 4.101098 -2.183068 0.882388
O -6.292049 -0.967185 1.068139
C 1.850156 0.157912 -0.332727
C 0.828975 1.223603 0.172207
C -0.531425 1.083219 -0.520602
C -1.114990 -0.295208 -0.110066
C 3.125650 0.624705 0.439480
C 1.294563 -1.238442 0.051761
C 1.590406 2.553942 0.063968
C -0.144171 -1.440973 -0.460249
C 3.058568 2.176521 0.369679
C -2.534683 -0.521761 -0.727163
C -1.469696 2.244759 -0.131241
C 2.074919 0.186129 -1.849584
C 4.471781 0.078230 -0.071942
C -2.900365 2.022936 -0.652494
C -3.423797 0.655564 -0.327358
C -2.511671 -0.606557 -2.265389
C -3.084556 -1.844242 -0.219833
C 5.650959 0.567920 0.772494
C -4.613556 0.496980 0.271703
C 4.466151 -1.435551 0.002357
C -4.270603 -1.985730 0.375040
C -5.174203 -0.828771 0.615598
H 0.656535 1.029710 1.269756
H -0.399093 1.111373 -1.629018
H -1.234275 -0.300446 1.006399
H 3.007861 0.310395 1.508591
H 1.947106 -2.052980 -0.334525
H 1.199314 3.294855 0.782356
H 1.494396 3.003932 -0.936400
H -0.525013 -2.384875 -0.014159
H -0.112588 -1.597657 -1.555198
H 3.729483 2.575068 -0.408268
H 3.388924 2.617040 1.324617
H -1.067174 3.218537 -0.500613
H 2.763109 -0.601601 -2.176382
H 1.136619 0.053081 -2.400901
H 2.496248 1.145639 -2.171986
H 4.632546 0.390347 -1.137912
H -2.937615 2.184471 -1.749564
H -3.554750 2.812693 -0.220242
H -1.944761 -1.477670 -2.613530
H -3.528367 -0.696727 -2.669581
H -2.053123 0.281488 -2.713717
H -2.434157 -2.705847 -0.393449
H 2.086771 -1.702317 1.827463
H 5.731192 1.662006 0.742734
H 6.604690 0.165366 0.407804
H 5.549300 0.280757 1.827994
H -1.832010 1.681956 1.760095
H -5.250127 1.339378 0.548277
H -4.652276 -2.947888 0.719178
H 5.020102 -2.958941 -1.151002


%chk=000194357-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194357

0 1
O 1.186811 -1.544382 1.278724
O -1.544531 2.342203 1.402612
O 5.419861 -2.154924 -0.573717
O 3.937480 -2.128563 1.195565
O -6.076977 -0.953628 1.695662
C 1.852019 0.159638 -0.450778
C 0.829176 1.214436 0.074340
C -0.569606 1.105640 -0.561872
C -1.135778 -0.317823 -0.250310
C 3.105499 0.600782 0.390776
C 1.276415 -1.262772 -0.158164
C 1.589319 2.557756 -0.015239
C -0.153599 -1.418912 -0.731435
C 3.077592 2.165953 0.278390
C -2.626574 -0.515161 -0.796668
C -1.509472 2.235814 -0.066891
C 2.145003 0.282509 -1.970228
C 4.482953 -0.002740 0.022899
C -2.942147 2.046679 -0.635363
C -3.453420 0.665366 -0.282353
C -2.666181 -0.542549 -2.363677
C -3.172886 -1.847131 -0.316952
C 5.642207 0.634445 0.854188
C -4.543942 0.500165 0.531580
C 4.537873 -1.498484 0.286993
C -4.274266 -1.995606 0.472679
C -5.044664 -0.826048 0.956228
H 0.691288 0.990437 1.152730
H -0.486981 1.237403 -1.663003
H -1.194037 -0.414547 0.854864
H 2.890915 0.331246 1.444584
H 1.918430 -2.029494 -0.648437
H 1.202971 3.292762 0.711072
H 1.492323 3.005876 -1.023633
H -0.509321 -2.414279 -0.412092
H -0.094856 -1.426305 -1.836086
H 3.743526 2.510607 -0.536768
H 3.442895 2.635721 1.208294
H -1.109314 3.214086 -0.384954
H 2.817864 -0.528921 -2.309076
H 1.227734 0.214344 -2.579673
H 2.630708 1.242483 -2.220214
H 4.707100 0.159035 -1.047561
H -2.901655 2.187662 -1.733568
H -3.603869 2.826762 -0.220096
H -2.165629 -1.446560 -2.752208
H -3.712297 -0.559460 -2.715894
H -2.166978 0.337990 -2.803591
H -2.639295 -2.739565 -0.669604
H 2.101352 -1.798614 1.587334
H 5.712041 1.711854 0.632019
H 6.611003 0.167759 0.604286
H 5.458750 0.513893 1.936900
H -2.101429 1.605247 1.766061
H -5.108153 1.366966 0.898402
H -4.635760 -2.983029 0.782268
H 5.472406 -3.118422 -0.323641


