%chk=000273386.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273386

0 1
P 0.266860 -0.348381 -0.303714
O -2.643617 0.013163 -1.218716
O -4.543110 0.480788 2.430379
O -2.958744 -1.016325 3.020497
C 1.680227 -0.796317 0.794001
C 0.505239 -1.254492 -1.892487
C 0.468865 1.435459 -0.721126
C -1.227436 -0.750621 0.497778
C 2.852430 -1.342582 0.270690
C -0.238815 -2.412735 -2.109181
C 1.592194 2.144079 -0.289871
C 1.534255 -0.575671 2.165106
C 1.395345 -0.770726 -2.853931
C -0.531771 2.050576 -1.473290
C -2.450425 -0.474209 -0.098776
C 3.903387 -1.664681 1.137358
C -0.069524 -3.117920 -3.309257
C 1.717259 3.495754 -0.625852
C 2.589895 -0.899802 3.026117
C 1.559488 -1.479292 -4.048020
C -0.399128 3.405659 -1.805251
C -3.726807 -0.843799 0.695226
C 3.771776 -1.442384 2.512360
C 0.828153 -2.652723 -4.273054
C 0.721372 4.125009 -1.383446
C -3.637575 -0.526225 2.146559
C -4.598701 0.948820 3.801545
H -1.185545 -1.222817 1.473656
H 2.974559 -1.536473 -0.797957
H -0.961745 -2.778493 -1.371384
H 2.378044 1.677203 0.307977
H 0.612174 -0.162867 2.590970
H 1.957789 0.154057 -2.705890
H -1.433465 1.500471 -1.805499
H 4.822223 -2.093835 0.740923
H -0.647676 -4.022500 -3.491632
H 2.586261 4.060638 -0.295100
H 2.485016 -0.734542 4.097927
H 2.247758 -1.114364 -4.808040
H -1.177912 3.895062 -2.388975
H -4.588513 -0.319144 0.220515
H -3.914773 -1.928395 0.557002
H 4.591042 -1.696754 3.185111
H 0.955581 -3.199626 -5.207209
H 0.821070 5.179099 -1.641059
H -4.620328 0.100629 4.493838
H -5.530560 1.522293 3.826570
H -3.726393 1.580938 3.991010


%chk=000273386-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273386

0 1
P 0.245101 -0.293908 -0.317130
O -2.636948 0.041695 -1.238969
O -4.676244 0.433666 2.470216
O -3.070838 -1.147494 3.054114
C 1.664175 -0.769237 0.798539
C 0.474425 -1.231824 -1.926513
C 0.500675 1.515457 -0.763077
C -1.245589 -0.724336 0.562502
C 2.819776 -1.398621 0.278333
C -0.180907 -2.474688 -2.077022
C 1.630770 2.220358 -0.281242
C 1.574496 -0.482947 2.184446
C 1.298965 -0.723620 -2.957207
C -0.459931 2.166262 -1.580912
C -2.491474 -0.479775 -0.061487
C 3.882467 -1.744973 1.143693
C -0.001135 -3.219737 -3.262908
C 1.803305 3.582382 -0.619437
C 2.638756 -0.833185 3.044283
C 1.475590 -1.473354 -4.142475
C -0.276722 3.528175 -1.908910
C -3.789923 -0.913411 0.693567
C 3.794454 -1.463244 2.526062
C 0.829152 -2.722152 -4.294970
C 0.851127 4.237697 -1.433207
C -3.779373 -0.601895 2.171950
C -4.712157 0.854886 3.890365
H -1.142150 -1.189287 1.544133
H 2.887207 -1.632244 -0.789440
H -0.836121 -2.836625 -1.275725
H 2.372652 1.720954 0.351319
H 0.680794 0.004996 2.588427
H 1.782609 0.253827 -2.848671
H -1.338734 1.606299 -1.922167
H 4.772356 -2.237822 0.737645
H -0.515108 -4.179216 -3.385778
H 2.678744 4.126217 -0.247530
H 2.562670 -0.615752 4.114952
H 2.109520 -1.080359 -4.944847
H -1.020615 4.033706 -2.534311
H -4.632717 -0.407057 0.201054
H -3.899626 -2.007024 0.570360
H 4.617822 -1.735646 3.195532
H 0.962939 -3.299151 -5.216861
H 0.986400 5.293808 -1.692864
H -4.980846 0.003350 4.538347
H -5.477747 1.642521 3.930189
H -3.726343 1.243330 4.198029


