%chk=000228782.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228782

0 1
O 2.565148 0.847810 -0.158785
O 2.134748 -1.446871 -0.367531
C 3.937389 0.665810 0.288198
C 4.444591 -0.703817 -0.206558
C 3.448022 -1.821253 0.128679
C 1.637411 -0.202039 0.146525
C 0.386496 0.108208 -0.671579
C -0.863023 0.220842 0.204655
C 4.656790 1.822902 -0.407224
C 3.997152 0.796900 1.813081
C -2.105825 0.532324 -0.640548
C 3.747599 -3.128572 -0.590258
C -3.362272 0.646604 0.232797
C -4.605589 0.959957 -0.610606
C -5.877644 1.074837 0.240934
C -6.399345 -0.277963 0.747702
C -7.071704 -1.101791 -0.348531
H 4.575284 -0.658394 -1.307436
H 5.439684 -0.926760 0.212066
H 3.362090 -1.969423 1.228558
H 1.510145 -0.277967 1.242087
H 0.259828 -0.683558 -1.442123
H 0.557376 1.047706 -1.241315
H -0.720134 1.012331 0.966434
H -1.017675 -0.722686 0.764335
H 4.299627 2.789762 -0.031289
H 5.739007 1.775795 -0.264013
H 4.447649 1.816495 -1.485638
H 5.023751 0.947013 2.161815
H 3.406083 1.660122 2.145304
H 3.601981 -0.083895 2.327309
H -1.951200 1.472719 -1.204258
H -2.248311 -0.256614 -1.404401
H 4.744577 -3.507427 -0.348401
H 3.009707 -3.896922 -0.324746
H 3.681656 -3.002670 -1.680016
H -3.519872 -0.295649 0.793344
H -3.219947 1.432686 0.998783
H -4.743103 0.178643 -1.383452
H -4.450793 1.906307 -1.164303
H -6.667254 1.576271 -0.352304
H -5.688165 1.740439 1.105430
H -5.565635 -0.857782 1.191402
H -7.118629 -0.104666 1.572267
H -7.934648 -0.578441 -0.774770
H -7.426087 -2.063289 0.038276
H -6.378937 -1.313133 -1.171694


%chk=000228782-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228782

0 1
O 2.814537 1.053023 -0.464228
O 1.698012 -1.037708 0.027989
C 4.162055 0.552979 -0.026431
C 4.161065 -1.001115 -0.099637
C 2.934435 -1.632980 0.595535
C 1.689777 0.414982 0.218644
C 0.409683 0.975384 -0.391206
C -0.871056 0.451306 0.293784
C 5.124826 1.151712 -1.063250
C 4.492400 1.082808 1.390249
C -2.155999 1.039784 -0.330073
C 2.828602 -3.143081 0.383225
C -3.452458 0.494395 0.310107
C -4.731768 1.092877 -0.319656
C -6.050499 0.636928 0.354612
C -6.336522 -0.885826 0.290499
C -6.465676 -1.436254 -1.147679
H 4.142173 -1.301624 -1.164354
H 5.092722 -1.394276 0.352653
H 2.957435 -1.405654 1.686713
H 1.753412 0.620281 1.315131
H 0.405633 0.711357 -1.465408
H 0.461523 2.078914 -0.324806
H -0.844549 0.698588 1.376276
H -0.888615 -0.652912 0.223293
H 5.105899 2.254558 -1.013006
H 6.159036 0.806602 -0.881232
H 4.821517 0.848802 -2.080040
H 5.545698 0.861045 1.643300
H 4.351452 2.177346 1.418328
H 3.858948 0.633743 2.175286
H -2.139107 2.146365 -0.237596
H -2.167020 0.820517 -1.418433
H 3.715296 -3.657632 0.796333
H 1.926724 -3.539643 0.880530
H 2.757266 -3.373226 -0.694534
H -3.463435 -0.610140 0.212382
H -3.446319 0.710488 1.399455
H -4.756003 0.845192 -1.400521
H -4.671154 2.199709 -0.262630
H -6.898475 1.175214 -0.117974
H -6.033202 0.952357 1.418764
H -5.540554 -1.439679 0.826475
H -7.276823 -1.089930 0.841212
H -7.248777 -0.892417 -1.709832
H -6.735642 -2.508488 -1.141948
H -5.518476 -1.333770 -1.708098


