%chk=000228861.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228861

0 1
O -2.823740 0.546365 -1.830368
O -1.739786 -1.638694 0.719615
O -2.676755 -2.419325 -1.185832
C -2.475700 1.101305 -0.515905
C -1.771416 -0.127860 -1.074974
C -3.527287 0.953002 0.564036
C -1.795376 2.453855 -0.523985
C -0.382316 -0.089124 -1.671936
C -2.858922 1.169056 1.929500
C -1.130572 2.684852 0.840523
C -2.135473 2.522640 1.990413
C -2.153649 -1.513090 -0.590737
C 0.681554 -0.082624 -0.567576
C 2.096833 -0.040948 -1.152497
C 3.158601 -0.030345 -0.044348
C -2.006195 -2.904342 1.402642
C 4.577252 0.011016 -0.628162
C 5.639132 0.022896 0.479437
C -3.455870 -2.953830 1.838541
C 7.058886 0.063859 -0.103357
C 8.120201 0.075873 0.994556
H -4.019488 -0.037850 0.521140
H -4.336811 1.691671 0.397423
H -2.546643 3.241905 -0.734579
H -1.052851 2.528546 -1.341850
H -0.237730 -0.952219 -2.355529
H -0.284898 0.807186 -2.320720
H -2.138285 0.342511 2.111447
H -3.614379 1.105353 2.733397
H -0.674667 3.691180 0.872750
H -0.293031 1.957904 0.960193
H -2.877391 3.343794 1.954771
H -1.613582 2.624270 2.960419
H 0.556126 -0.976736 0.078043
H 0.515332 0.789171 0.107367
H 2.256823 -0.912540 -1.817130
H 2.215550 0.852500 -1.795659
H 3.000659 0.839708 0.621596
H 3.042225 -0.925490 0.596990
H -1.297091 -2.839176 2.247573
H -1.737494 -3.734756 0.725402
H 4.736448 -0.860455 -1.292375
H 4.694324 0.904573 -1.271206
H 5.482231 0.893542 1.144662
H 5.524315 -0.870555 1.122808
H -3.743107 -2.049623 2.389783
H -4.128421 -3.033964 0.970623
H -3.651839 -3.817775 2.484455
H 7.176332 0.958192 -0.746152
H 7.218393 -0.808274 -0.767347
H 8.014639 0.948604 1.648882
H 9.129553 0.105307 0.569069
H 8.057053 -0.816941 1.626966


%chk=000228861-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228861

0 1
O -2.802719 0.472222 -1.862111
O -1.826385 -1.561857 0.929806
O -2.301349 -2.469785 -1.167976
C -2.537533 1.100548 -0.491584
C -1.718592 -0.081068 -0.969272
C -3.684251 0.925286 0.501292
C -1.984508 2.522248 -0.514184
C -0.300132 0.030598 -1.534724
C -3.265539 1.372948 1.925903
C -1.559988 2.975864 0.909049
C -2.719572 2.820867 1.921311
C -2.013239 -1.484319 -0.456199
C 0.821865 -0.105220 -0.477623
C 2.230994 0.020816 -1.098293
C 3.362807 -0.132393 -0.057816
C -2.012080 -2.915555 1.548556
C 4.777500 0.004184 -0.664503
C 5.906558 -0.154733 0.378647
C -3.488024 -3.171713 1.864859
C 7.323207 -0.013607 -0.223755
C 8.443383 -0.172375 0.827158
H -4.039784 -0.119472 0.508415
H -4.528653 1.551943 0.148544
H -2.788182 3.189907 -0.885745
H -1.142651 2.616903 -1.220706
H -0.184437 -0.755141 -2.307650
H -0.208145 0.998288 -2.059857
H -2.488304 0.680727 2.303639
H -4.133994 1.293498 2.607800
H -1.217066 4.027561 0.872629
H -0.696754 2.367616 1.247222
H -3.536618 3.521497 1.650404
H -2.378651 3.102811 2.936103
H 0.737470 -1.080489 0.041143
H 0.692730 0.670931 0.303401
H 2.353265 -0.747123 -1.890437
H 2.326135 1.005263 -1.602520
H 3.232435 0.628013 0.740598
H 3.271361 -1.121409 0.438244
H -1.393306 -2.868414 2.458901
H -1.613977 -3.674796 0.852409
H 4.908308 -0.754180 -1.464649
H 4.871217 0.994605 -1.157475
H 5.774605 0.601390 1.181014
H 5.816022 -1.146554 0.869565
H -3.899018 -2.373597 2.507418
H -4.083063 -3.230875 0.938299
H -3.590877 -4.133194 2.401569
H 7.412882 0.977043 -0.714781
H 7.455280 -0.769764 -1.024463
H 8.351781 0.592201 1.621788
H 9.445457 -0.068103 0.371766
H 8.393825 -1.165943 1.311669


