%chk=000221373.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221373

0 1
O 4.386157 1.542162 0.373550
O 6.165009 -2.716732 0.975010
O 5.669720 2.735539 -1.015506
O 5.178686 -2.156123 -0.955355
C 4.369184 0.238610 1.047123
C 3.139146 -0.512033 0.549562
C 1.853859 0.255073 0.888363
C 0.615193 -0.465366 0.342089
C 5.747140 -0.425114 0.725725
C -0.669290 0.303376 0.680304
C -1.911239 -0.414437 0.134989
C -3.195864 0.354324 0.472653
C -4.438355 -0.363446 -0.071654
C -5.722990 0.405355 0.265919
C 6.434143 0.537133 -0.207237
C -6.965634 -0.312368 -0.278132
C -8.250387 0.456239 0.059505
C 5.536903 1.724841 -0.384604
C 5.628653 -1.795484 0.101729
C -9.492768 -0.261396 -0.484646
C -10.778761 0.506419 -0.147533
C 7.625478 0.410487 -0.782000
C -12.018675 -0.203212 -0.687206
H 4.298806 0.501628 2.125126
H 3.204037 -0.661444 -0.551855
H 3.104912 -1.526552 0.993214
H 1.918071 1.279752 0.462601
H 1.763730 0.388007 1.983269
H 0.559390 -1.491597 0.753059
H 0.702348 -0.584482 -0.756032
H 6.339245 -0.516873 1.678930
H -0.757831 0.428503 1.776603
H -0.614429 1.328331 0.263795
H -1.966576 -1.439732 0.548586
H -1.823835 -0.536370 -0.962127
H -3.141253 1.379046 0.056713
H -3.283384 0.478913 1.569139
H -4.351251 -0.486732 -1.168480
H -4.493251 -1.388327 0.343145
H -5.668372 1.430031 -0.149807
H -5.810220 0.529713 1.362471
H -6.878743 -0.435971 -1.374884
H -7.020420 -1.337194 0.136875
H -8.337410 0.580165 1.156130
H -8.195636 1.480979 -0.355920
H -9.407259 -0.385623 -1.581254
H -9.548873 -1.286333 -0.070480
H -10.724618 1.531630 -0.563247
H -10.866733 0.629588 0.949648
H 8.271808 -0.448965 -0.648169
H 8.038919 1.171770 -1.441116
H -12.122955 -1.209629 -0.266245
H -11.981600 -0.306949 -1.777577
H -12.930936 0.351533 -0.441290
H 6.126914 -3.649862 0.629131


%chk=000221373-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221373

0 1
O 4.577973 1.655263 0.793341
O 5.823999 -2.509058 1.677601
O 5.542416 2.901021 -0.927829
O 6.044081 -2.454316 -0.633984
C 4.539735 0.207571 1.196130
C 3.302600 -0.459940 0.578419
C 1.980724 0.202267 1.025255
C 0.739257 -0.462973 0.390632
C 5.923888 -0.342665 0.682588
C -0.585361 0.212147 0.811316
C -1.834884 -0.440978 0.178874
C -3.153687 0.262858 0.570393
C -4.407490 -0.386159 -0.057980
C -5.720767 0.339701 0.311389
C 6.216492 0.545680 -0.510910
C -6.977556 -0.305672 -0.314809
C -8.286765 0.434116 0.041703
C 5.462293 1.828303 -0.307452
C 5.939999 -1.842013 0.447442
C -9.545866 -0.207754 -0.583491
C -10.852500 0.539811 -0.231818
C 7.004437 0.333025 -1.591337
C -12.106420 -0.107406 -0.858666
H 4.484730 0.203708 2.296487
H 3.383800 -0.434364 -0.526968
H 3.297978 -1.527097 0.879807
H 2.006646 1.276293 0.759862
H 1.899804 0.152806 2.131445
H 0.708663 -1.537923 0.667703
H 0.830213 -0.428976 -0.715143
H 6.666850 -0.139190 1.479927
H -0.677536 0.184647 1.917388
H -0.551775 1.285125 0.529505
H -1.884807 -1.508692 0.479367
H -1.731563 -0.433944 -0.926546
H -3.102191 1.328860 0.264478
H -3.256196 0.262481 1.675981
H -4.296695 -0.401784 -1.162660
H -4.471855 -1.447316 0.262319
H -5.654860 1.399856 -0.011902
H -5.831001 0.359131 1.416100
H -6.862687 -0.334645 -1.418822
H -7.051556 -1.362688 0.016927
H -8.401413 0.464642 1.145764
H -8.211439 1.490749 -0.291132
H -9.430979 -0.242593 -1.687380
H -9.626890 -1.262809 -0.246997
H -10.770481 1.593353 -0.569388
H -10.965206 0.575637 0.871238
H 7.528033 -0.613118 -1.753306
H 7.104304 1.121964 -2.345861
H -12.228476 -1.151290 -0.512464
H -12.031391 -0.128073 -1.962470
H -13.025809 0.446365 -0.592876
H 5.835091 -3.493142 1.525406


