%chk=000259599.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259599

0 1
O -3.239162 2.476849 1.133953
O -3.532414 3.548508 -0.810317
O 0.930480 2.100917 -0.838878
O 2.725146 -1.045587 1.599596
N -0.882305 1.487078 0.403500
N -4.659199 -2.254526 0.186050
N 2.754034 1.155837 0.998279
N -5.891583 -3.749215 -1.310873
N -6.209402 -3.807128 1.067523
C -2.474631 0.485849 -1.262102
C -1.836499 1.764426 -0.685568
C -3.201601 -0.367083 -0.219540
C -4.031713 -1.474896 -0.893945
C -2.938177 2.704537 -0.188653
C 0.485795 1.677990 0.215522
C 1.361646 1.361076 1.429573
C 3.299267 -0.139779 1.019321
C 4.640041 -0.260311 0.366974
C -5.487997 -3.233223 -0.044344
C 5.702424 -0.795684 1.107628
C 4.824217 0.117140 -0.969875
C 6.958292 -0.937413 0.510762
C 6.081457 -0.032467 -1.561528
C 7.147753 -0.555271 -0.821453
H -1.676514 -0.114379 -1.748380
H -3.170134 0.775393 -2.078236
H -1.285832 2.305460 -1.520145
H -2.478572 -0.828687 0.482859
H -3.864623 0.257619 0.415762
H -1.277102 1.099353 1.259275
H -3.374775 -2.110894 -1.528210
H -4.797558 -1.026688 -1.568254
H 1.004079 0.453192 1.983346
H 1.318115 2.212856 2.150497
H 3.128185 1.877631 0.380063
H -3.962484 3.072835 1.471423
H 5.542202 -1.105788 2.141847
H 3.991722 0.514766 -1.552348
H 7.787686 -1.350243 1.083466
H 6.229507 0.257395 -2.601006
H 8.127287 -0.668167 -1.285371
H -6.549911 -4.515991 -1.313592
H -5.176230 -3.838433 -2.015954
H -5.948297 -4.767713 1.266048
H -6.121320 -3.249839 1.918702


%chk=000259599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259599

0 1
O -3.001453 2.879343 1.565576
O -4.077185 3.396001 -0.429743
O 0.569511 1.234720 -1.213978
O 3.585800 0.274154 2.511978
N -1.002731 1.619524 0.455313
N -4.612184 -2.353234 0.175821
N 2.534184 0.615431 0.485789
N -5.720918 -3.716979 -1.507826
N -6.146333 -4.026929 0.779899
C -2.734113 0.720244 -1.160060
C -2.071540 1.968720 -0.493743
C -3.427507 -0.228995 -0.163964
C -4.008115 -1.481657 -0.850384
C -3.144279 2.825791 0.167950
C 0.253293 1.281234 0.019916
C 1.273248 0.964247 1.125662
C 3.639289 0.277607 1.236157
C 4.901835 -0.080986 0.491254
C -5.432819 -3.309335 -0.194294
C 6.058507 -0.331950 1.272916
C 4.988065 -0.184842 -0.922562
C 7.280032 -0.674304 0.657746
C 6.211392 -0.528503 -1.538555
C 7.360879 -0.772691 -0.751454
H -1.930746 0.191712 -1.706621
H -3.457718 1.091719 -1.911308
H -1.622344 2.569476 -1.308215
H -2.715257 -0.567803 0.611794
H -4.254154 0.284915 0.364358
H -1.217800 1.676105 1.453782
H -3.180112 -2.004324 -1.385619
H -4.742046 -1.160217 -1.631519
H 0.913142 0.132024 1.763274
H 1.400879 1.835689 1.799301
H 2.521223 0.661660 -0.538831
H -3.739599 3.415728 1.961284
H 5.964283 -0.252149 2.360930
H 4.114092 -0.012330 -1.561653
H 8.166652 -0.864528 1.272580
H 6.267057 -0.607690 -2.629849
H 8.308835 -1.038919 -1.232357
H -6.600328 -4.182486 -1.721101
H -5.187043 -3.327718 -2.279244
H -6.322744 -5.020672 0.637193
H -5.991830 -3.709498 1.735806


