%chk=000244165.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244165

0 1
O -3.658601 -1.930887 0.412535
O -2.848000 2.973670 0.655256
O -2.559138 -5.193596 -0.577439
O -3.722339 -1.279208 -1.755804
C -2.058665 0.951278 -0.329675
C -3.416266 0.364669 0.052111
C -0.522593 2.931541 0.233483
C -1.892846 2.350725 0.237757
C 1.207105 -1.889257 -0.181081
C -1.239911 -3.255913 -0.228707
C 2.495709 -1.161428 -0.165588
C 0.915087 -2.776011 -1.230926
C 0.271930 -1.699996 0.850134
C -0.298765 -3.462963 -1.249612
C -0.947864 -2.378662 0.824174
C 0.635789 2.154191 0.087937
C -0.399052 4.322265 0.408457
C -2.518389 -4.019790 -0.280906
C -3.834953 -3.308184 0.025951
C 2.015898 4.142335 0.279150
C -3.608537 -0.974236 -0.596506
C 1.894876 2.752576 0.113261
C 0.856717 4.924469 0.425566
C 2.915771 -0.449227 -1.301030
C 3.308484 -1.186583 0.978989
C 3.358896 4.792720 0.302862
C 4.137284 0.228739 -1.288978
C 4.529192 -0.506660 0.984513
C 4.945363 0.201372 -0.147518
H -1.238443 0.283520 0.012689
H -1.953611 1.002799 -1.437690
H -4.236811 1.054023 -0.263251
H -3.513254 0.293841 1.159730
H 1.644557 -2.939951 -2.024190
H 0.501017 -1.027103 1.676014
H -0.521688 -4.167009 -2.055645
H -1.679283 -2.223301 1.621849
H 0.563960 1.070888 -0.039375
H -1.304634 4.924316 0.534982
H -4.512700 -3.374944 -0.851728
H -4.332906 -3.750998 0.911598
H 2.786616 2.133643 0.006413
H 0.940151 6.001761 0.557022
H 2.288638 -0.424127 -2.191662
H 2.992426 -1.746345 1.858888
H 3.464456 5.519523 -0.516542
H 4.184312 4.075273 0.205019
H 3.520757 5.342282 1.242363
H 4.461518 0.776348 -2.173124
H 5.159448 -0.532403 1.872744
H 5.899691 0.725114 -0.142271


%chk=000244165-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244165

0 1
O -3.735281 -1.814809 0.660324
O -3.092550 3.156976 0.623764
O -2.766834 -4.675612 -1.378653
O -4.108523 -1.321571 -1.587043
C -2.324390 0.976626 -0.146543
C -3.789162 0.513863 0.042953
C -0.710007 2.968253 0.287790
C -2.110310 2.432672 0.282632
C 1.393345 -1.906116 -0.311663
C -1.218869 -3.076704 -0.448841
C 2.733911 -1.257471 -0.257121
C 0.980118 -2.648802 -1.456019
C 0.477563 -1.788030 0.771922
C -0.296134 -3.230914 -1.519682
C -0.809772 -2.354968 0.705119
C 0.417937 2.176615 -0.059489
C -0.499908 4.323343 0.667651
C -2.563463 -3.718860 -0.578525
C -3.743075 -3.255548 0.301738
C 1.929924 4.074638 0.358433
C -3.919537 -0.922053 -0.417870
C 1.717207 2.724538 -0.021401
C 0.796376 4.864341 0.700820
C 3.351651 -0.764407 -1.441005
C 3.426253 -1.100991 0.976310
C 3.325937 4.667328 0.397096
C 4.614669 -0.136949 -1.393574
C 4.689317 -0.474566 1.025005
C 5.290585 0.011940 -0.159656
H -1.642120 0.322118 0.427335
H -2.028185 0.871561 -1.209928
H -4.459040 1.150002 -0.557646
H -4.077887 0.609688 1.101557
H 1.677965 -2.792544 -2.287957
H 0.764605 -1.215649 1.661080
H -0.608167 -3.813107 -2.393037
H -1.499259 -2.224384 1.544737
H 0.295821 1.130555 -0.359995
H -1.375401 4.925080 0.934044
H -4.670768 -3.512536 -0.236420
H -3.719213 -3.770275 1.278169
H 2.575357 2.095833 -0.287055
H 0.941243 5.910614 0.996792
H 2.828611 -0.846260 -2.400383
H 2.988238 -1.499675 1.898133
H 3.430002 5.488918 -0.336928
H 4.094219 3.909482 0.168451
H 3.552504 5.094223 1.391992
H 5.068421 0.239615 -2.316953
H 5.209033 -0.375266 1.984278
H 6.273443 0.494343 -0.122541


