%chk=000287388.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287388

0 1
O -2.531453 3.157060 0.413621
O 0.912834 -2.965606 0.536345
O 5.371694 0.837369 -0.452411
O 4.727895 -1.219700 -0.286714
N -0.184064 -0.979698 0.959597
N 4.528857 -0.019407 -0.231154
C -0.742258 1.876389 1.190012
C -1.632814 2.123371 -0.043178
C 0.607029 1.339982 0.812304
C -2.409167 0.894932 -0.466735
C 0.871687 -0.055162 0.711063
C 1.639381 2.252725 0.557262
C 2.164369 -0.496157 0.372664
C 3.165159 0.447295 0.129241
C 2.920799 1.823149 0.214334
C -1.963378 0.121649 -1.546919
C -3.569836 0.523164 0.226272
C -2.676109 -1.019047 -1.928852
C -4.281818 -0.614502 -0.160904
C -3.835386 -1.387193 -1.238566
C -0.112336 -2.391903 0.835041
C -1.417693 -3.077209 1.117171
H -1.262093 1.226169 1.923019
H -0.643231 2.847919 1.733641
H -1.041387 2.546926 -0.888729
H 1.438850 3.324284 0.630326
H 2.396228 -1.575174 0.295989
H 3.724525 2.538986 0.016695
H -1.059636 0.401484 -2.088997
H -3.916072 1.136662 1.060750
H -1.097116 -0.561319 1.176625
H -3.219615 3.338122 -0.258571
H -2.328243 -1.618815 -2.770162
H -5.189339 -0.895552 0.372276
H -4.395307 -2.269734 -1.545892
H -1.727007 -2.971023 2.166137
H -1.319861 -4.159607 0.923668
H -2.238587 -2.710229 0.482531


%chk=000287388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287388

0 1
O -2.761865 3.082304 0.764888
O 0.944311 -3.052003 1.245689
O 5.308470 0.719162 -0.787387
O 4.605397 -1.429144 -0.493010
N -0.223530 -1.016692 1.074575
N 4.412704 -0.154811 -0.461350
C -0.755394 1.890168 1.269040
C -1.751191 2.221636 0.119844
C 0.563507 1.296468 0.795983
C -2.389605 0.992465 -0.520864
C 0.818772 -0.113821 0.733291
C 1.597294 2.188523 0.416124
C 2.095802 -0.587188 0.332159
C 3.081593 0.348083 -0.029646
C 2.862036 1.740876 -0.003808
C -1.912982 0.489135 -1.756325
C -3.470506 0.334245 0.125331
C -2.494527 -0.662688 -2.333319
C -4.057931 -0.812178 -0.456359
C -3.568734 -1.315702 -1.685695
C -0.135526 -2.398088 1.306714
C -1.462239 -3.053697 1.679634
H -1.270516 1.251438 2.010530
H -0.553761 2.850813 1.776100
H -1.203960 2.795312 -0.658904
H 1.401998 3.265617 0.475321
H 2.309655 -1.657102 0.312767
H 3.662463 2.426872 -0.289106
H -1.083751 0.995585 -2.265324
H -3.857194 0.741721 1.066884
H -1.166480 -0.621265 1.104707
H -3.476258 3.282740 0.107527
H -2.114630 -1.045877 -3.286501
H -4.900984 -1.305606 0.040590
H -4.024715 -2.203417 -2.137365
H -1.520051 -3.163109 2.778277
H -1.489529 -4.064918 1.244268
H -2.342643 -2.485254 1.333519


