%chk=000240338.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240338

0 1
O 5.214668 -0.490204 1.189479
O -5.743912 -0.457437 0.375810
C 2.586428 1.066478 0.174746
C 2.097187 -0.316421 -0.375680
C 0.647024 -0.574275 0.047805
C 4.088255 1.037736 -0.211490
C 3.200397 -1.293321 0.055192
C -0.234654 0.515703 -0.630860
C 4.503477 -0.449168 -0.067328
C 1.743723 2.159432 -0.507036
C 0.246168 1.931158 -0.233853
C 0.139955 -1.962164 -0.365458
C 2.481050 1.187475 1.703232
C -1.701718 0.289991 -0.332145
C -1.274792 -2.183652 0.179792
C 5.431054 -0.937738 -1.176855
C -2.183751 -0.994473 0.016617
C -2.616023 1.342221 -0.461622
C -3.548433 -1.192625 0.245079
C -3.985149 1.167377 -0.237322
C -4.433812 -0.107935 0.118000
C -6.749184 0.578560 0.276626
H 2.119238 -0.272986 -1.495205
H 0.558052 -0.475547 1.157725
H 4.258977 1.408479 -1.231833
H 4.702413 1.667577 0.456685
H 3.059331 -1.624244 1.098813
H 3.219320 -2.198802 -0.565199
H -0.116247 0.414062 -1.742232
H 1.932933 2.167977 -1.595891
H 2.040987 3.159208 -0.142195
H 0.032607 2.103677 0.839098
H -0.340317 2.690669 -0.786071
H 0.816628 -2.749404 0.014735
H 0.144583 -2.062650 -1.467347
H 2.711416 2.202824 2.038296
H 1.479384 0.933449 2.066570
H 3.194654 0.514348 2.201056
H -1.222685 -2.435290 1.261980
H -1.724686 -3.072329 -0.309580
H 6.355161 -0.346034 -1.199012
H 5.719183 -1.984968 -1.043529
H 4.959079 -0.852011 -2.161736
H 5.594298 -1.368173 1.358053
H -2.260892 2.334483 -0.748320
H -3.944560 -2.167297 0.518752
H -4.663159 2.005042 -0.341978
H -6.794409 0.967798 -0.744386
H -6.553425 1.369399 1.006245
H -7.665023 0.028727 0.528878


%chk=000240338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240338

0 1
O 5.395663 -0.468427 1.169069
O -5.872808 -0.510364 0.294181
C 2.633881 1.089156 0.204797
C 2.119753 -0.299491 -0.300559
C 0.653507 -0.576398 0.076639
C 4.112866 1.025153 -0.269553
C 3.235099 -1.278556 0.133415
C -0.233417 0.539256 -0.562776
C 4.563605 -0.460081 -0.069083
C 1.763239 2.186056 -0.453083
C 0.252981 1.963825 -0.163879
C 0.139044 -1.957220 -0.381833
C 2.609960 1.234095 1.752180
C -1.728539 0.290544 -0.300425
C -1.275244 -2.210964 0.178823
C 5.411357 -0.987233 -1.242554
C -2.215537 -1.017977 0.011438
C -2.675864 1.337193 -0.410971
C -3.598937 -1.226041 0.198253
C -4.061250 1.135835 -0.223610
C -4.524346 -0.164688 0.085264
C -6.863973 0.559860 0.181112
H 2.154604 -0.248012 -1.415438
H 0.545394 -0.529807 1.182080
H 4.180564 1.291693 -1.342629
H 4.787735 1.693753 0.292501
H 3.124813 -1.540846 1.203034
H 3.233627 -2.216957 -0.451403
H -0.073050 0.451632 -1.664278
H 1.926882 2.169532 -1.552058
H 2.062958 3.192536 -0.098795
H 0.037858 2.135066 0.909077
H -0.320832 2.727628 -0.722247
H 0.821001 -2.759433 -0.040777
H 0.124522 -1.991295 -1.491032
H 2.947785 2.251249 2.027747
H 1.603123 1.091164 2.181007
H 3.301840 0.521343 2.231914
H -1.192469 -2.443265 1.261487
H -1.726185 -3.105889 -0.291778
H 6.300059 -0.348062 -1.391759
H 5.756652 -2.023353 -1.055211
H 4.826403 -0.994162 -2.180969
H 5.711289 -1.396395 1.322816
H -2.334891 2.349289 -0.652362
H -3.983308 -2.224647 0.435613
H -4.749587 1.980656 -0.321178
H -6.867893 1.002529 -0.834576
H -6.686079 1.357431 0.929333
H -7.833059 0.077791 0.378135


