%chk=000227905.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227905

0 1
O 5.175981 -0.780590 -0.869402
O 1.219052 0.206157 -0.520279
O 0.986336 1.435904 1.361439
C -5.159445 -0.557948 0.029048
C 4.860783 -0.276225 0.457071
C 3.334358 -0.420241 0.520663
C -3.681565 -0.227511 0.131401
C 2.657205 0.459078 -0.525047
C -5.380518 -2.067557 0.181174
C -5.732588 -0.035504 -1.293632
C 5.561538 -1.114353 1.521940
C -3.227382 0.604216 1.168509
C -2.759438 -0.740769 -0.795551
C -0.956725 0.402472 0.347980
C -1.873437 0.918783 1.278448
C -1.404604 -0.429126 -0.690243
C 0.471052 0.758176 0.498165
C 6.508741 -0.496632 -1.324167
H -5.705658 -0.046064 0.864727
H 5.174235 0.789295 0.515174
H 3.048250 -1.479802 0.355868
H 2.968862 -0.154807 1.534421
H 2.828892 1.535438 -0.356244
H 2.925970 0.167643 -1.559044
H -4.923224 -2.634304 -0.637604
H -6.448765 -2.310825 0.188831
H -4.948158 -2.440545 1.117121
H -5.551041 1.039624 -1.408691
H -6.815032 -0.196785 -1.345411
H -5.286815 -0.535773 -2.160655
H 6.640552 -0.929982 1.538648
H 5.420366 -2.186381 1.330379
H 5.175399 -0.902278 2.524851
H -3.932397 1.008324 1.893359
H -3.104123 -1.386199 -1.601981
H -1.515368 1.565650 2.084306
H -0.684071 -0.826960 -1.410345
H 6.695755 0.580804 -1.332734
H 6.504768 -0.898311 -2.345216
H 7.245061 -1.021592 -0.709076


%chk=000227905-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227905

0 1
O 5.380016 -0.654506 -0.926417
O 1.235943 0.071093 -0.598083
O 0.965023 1.503750 1.226126
C -5.266796 -0.510191 0.058679
C 4.925600 -0.362731 0.452399
C 3.403131 -0.587143 0.437821
C -3.770209 -0.199985 0.125367
C 2.703657 0.337512 -0.568491
C -5.548293 -2.014236 0.322092
C -5.882394 -0.061400 -1.294237
C 5.632118 -1.251127 1.493444
C -3.258848 0.694279 1.101837
C -2.853626 -0.795943 -0.783475
C -0.978957 0.385791 0.260774
C -1.882390 0.986368 1.173538
C -1.476515 -0.510527 -0.721670
C 0.468015 0.722854 0.373022
C 6.746361 -0.221203 -1.209960
H -5.764110 0.069900 0.862052
H 5.140685 0.710248 0.673089
H 3.200062 -1.641736 0.173715
H 3.003668 -0.400093 1.451100
H 2.863644 1.399593 -0.306932
H 3.042312 0.134631 -1.594265
H -5.086209 -2.647814 -0.457633
H -6.636534 -2.210449 0.315584
H -5.143451 -2.332066 1.299589
H -5.706864 1.013950 -1.476686
H -6.973396 -0.241328 -1.300948
H -5.442634 -0.624181 -2.138463
H 6.722199 -1.073533 1.513361
H 5.457114 -2.317891 1.265723
H 5.240550 -1.040689 2.505603
H -3.950278 1.164813 1.811448
H -3.220773 -1.491291 -1.547503
H -1.485378 1.675720 1.926231
H -0.776030 -0.970828 -1.424071
H 6.890536 0.853854 -0.966455
H 6.894327 -0.371883 -2.291428
H 7.501527 -0.817081 -0.657674


