%chk=000237319.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237319

0 1
O 1.094219 0.782541 -2.574384
O 0.020732 0.237806 0.813677
N 2.250431 -0.827715 -1.440991
N 4.231278 -0.253768 0.609068
C 3.542498 -0.156899 -1.775914
C 2.369782 -1.668105 -0.219018
C 4.084024 0.651306 -0.580049
C 2.901609 -0.846511 0.974234
C 1.067951 -0.156425 -1.794896
C 4.792725 0.503687 1.767471
C -0.262181 -0.746583 -1.347149
C -0.739871 -0.218421 -0.012329
C -2.212099 -0.287477 0.238965
C -3.020658 -1.292098 -0.311501
C -2.780963 0.688064 1.073067
C -4.389612 -1.314644 -0.034281
C -4.152156 0.667295 1.341245
C -4.956386 -0.333520 0.787687
H 3.397486 0.511467 -2.656367
H 4.265611 -0.951092 -2.067588
H 3.078664 -2.496769 -0.455525
H 1.397422 -2.129868 0.042647
H 5.088621 1.051992 -0.834373
H 3.424066 1.525004 -0.385744
H 2.143150 -0.083233 1.271008
H 3.048492 -1.516394 1.847242
H 5.785802 0.894109 1.492952
H 4.942226 -0.190576 2.609968
H 4.174275 1.343749 2.117409
H -1.005633 -0.495594 -2.143031
H -0.223078 -1.855256 -1.326156
H -2.590554 -2.062799 -0.949848
H -2.141787 1.459258 1.511731
H -5.017436 -2.096414 -0.459622
H -4.591781 1.429454 1.983617
H -6.025971 -0.351369 0.997282


%chk=000237319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237319

0 1
O 1.073015 0.421759 -2.916551
O -0.132182 0.562793 0.612984
N 2.203600 -0.693039 -1.213751
N 4.354201 -0.210291 0.637549
C 3.515925 -0.207792 -1.697708
C 2.288281 -1.456012 0.047675
C 4.227517 0.602500 -0.598137
C 3.016301 -0.626156 1.127091
C 1.049780 -0.316271 -1.878371
C 5.143806 0.471616 1.681311
C -0.300268 -0.852163 -1.374508
C -0.876328 -0.119232 -0.151828
C -2.346469 -0.253479 0.131014
C -3.212227 -1.064665 -0.652553
C -2.881395 0.456194 1.242236
C -4.582299 -1.163980 -0.329460
C -4.249509 0.359736 1.560880
C -5.104436 -0.451496 0.775193
H 3.335545 0.407351 -2.593688
H 4.141485 -1.081158 -1.968289
H 2.859623 -2.388698 -0.135312
H 1.283475 -1.716253 0.410782
H 5.240709 0.875373 -0.947996
H 3.658310 1.548720 -0.415430
H 2.372114 0.247175 1.390942
H 3.149677 -1.248040 2.032393
H 6.148663 0.710579 1.288871
H 5.266931 -0.198372 2.551330
H 4.677192 1.423191 2.041012
H -0.989019 -0.740199 -2.228601
H -0.250116 -1.934863 -1.139387
H -2.826220 -1.622096 -1.512222
H -2.199503 1.075778 1.834015
H -5.242589 -1.791379 -0.937825
H -4.653212 0.913573 2.415343
H -6.169483 -0.526501 1.021502


