%chk=000235952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235952

0 1
O -3.062624 -0.944118 -0.305556
O -2.699211 1.126577 0.517994
C 2.577692 1.279408 -1.253744
C 2.479604 -0.968626 -0.177297
C 3.379463 -0.033409 -1.032843
C 1.191901 -0.182975 0.022510
C 1.243832 1.029312 -0.561812
C 3.290412 2.519514 -0.688804
C 0.058519 -0.791307 0.779138
C 3.135166 -1.358474 1.131918
C -0.790378 -1.725379 -0.096583
C 0.176852 2.057118 -0.595396
C 4.529043 2.896694 -1.497358
C -1.754634 -0.958212 -1.003998
C 3.405706 -0.252740 2.104004
C 3.459634 -2.628279 1.392637
C -2.069809 -1.662085 -2.312494
C -3.413246 0.152430 0.432717
C -4.780036 -0.101194 1.059694
C -5.749092 0.969216 0.559821
C -4.624547 -0.082008 2.579800
H 2.399546 1.428275 -2.343961
H 2.246260 -1.890054 -0.763917
H 4.343981 0.160531 -0.537230
H 3.622710 -0.507704 -1.995528
H 0.454398 -1.361866 1.646171
H -0.585628 0.004383 1.216612
H 3.564473 2.342344 0.369452
H 2.584495 3.373848 -0.674163
H -0.128832 -2.374813 -0.702554
H -1.372512 -2.416059 0.547481
H -0.835705 1.604449 -0.553683
H 0.242598 2.727027 0.274462
H 0.219708 2.680098 -1.495962
H 5.261538 2.081860 -1.521580
H 4.275022 3.137067 -2.535969
H 5.027563 3.773767 -1.069866
H -1.437970 0.103772 -1.158465
H 4.262839 0.352458 1.777157
H 2.546850 0.429921 2.184254
H 3.630013 -0.622419 3.111432
H 3.930059 -2.946047 2.308829
H 3.283530 -3.445251 0.712964
H -2.446481 -2.679456 -2.144698
H -2.847580 -1.126667 -2.872161
H -1.181229 -1.728990 -2.950890
H -5.143275 -1.112314 0.736071
H -5.392351 1.980871 0.799891
H -5.885235 0.917528 -0.527031
H -6.736552 0.852966 1.021728
H -3.954988 -0.877227 2.929073
H -4.213575 0.874560 2.932113
H -5.591819 -0.224123 3.076019


%chk=000235952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235952

0 1
O -2.525895 -0.855598 0.274024
O -2.883731 0.778296 -1.356924
C 2.128799 1.602809 -0.649254
C 2.379533 -0.851506 -0.304451
C 3.160414 0.437327 -0.718213
C 1.201676 -0.283813 0.515784
C 1.069208 1.063769 0.322567
C 2.755762 2.965699 -0.260553
C 0.292249 -1.206553 1.298622
C 3.220799 -1.902959 0.422117
C -0.505125 -2.193634 0.396760
C -0.013586 1.968020 0.858732
C 3.784912 3.470278 -1.295719
C -1.463851 -1.507107 -0.584192
C 3.877310 -1.492013 1.730416
C 3.371066 -3.157040 -0.084073
C -2.153868 -2.467238 -1.561558
C -3.169838 0.268189 -0.246503
C -4.266867 0.758590 0.697315
C -5.643375 0.303307 0.137074
C -4.202724 2.296955 0.841771
H 1.646465 1.735874 -1.646007
H 1.975416 -1.337126 -1.220538
H 3.963369 0.636782 0.017335
H 3.635820 0.329586 -1.708373
H 0.893813 -1.818631 2.000848
H -0.424672 -0.629378 1.909672
H 3.240112 2.867847 0.733058
H 1.954958 3.723838 -0.150403
H 0.202502 -2.812298 -0.188402
H -1.085542 -2.887270 1.035532
H -0.715426 1.430491 1.518951
H 0.412682 2.812695 1.433800
H -0.602363 2.409913 0.029569
H 4.626814 2.762190 -1.403207
H 3.316890 3.588517 -2.291707
H 4.203931 4.449794 -1.000595
H -0.956071 -0.694001 -1.136217
H 4.688997 -0.758458 1.561022
H 3.149397 -1.003778 2.405772
H 4.315028 -2.361090 2.250611
H 3.968419 -3.921116 0.427422
H 2.909014 -3.450092 -1.035486
H -2.713291 -3.248378 -1.016177
H -2.850566 -1.920447 -2.219463
H -1.399429 -2.963130 -2.199704
H -4.104558 0.277214 1.678381
H -5.822172 0.754099 -0.855593
H -5.695608 -0.795799 0.037572
H -6.451076 0.627109 0.817755
H -3.247147 2.622435 1.291503
H -4.296241 2.778549 -0.147273
H -5.026240 2.652479 1.487001


