%chk=000269067.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269067

0 1
O 5.033566 -1.721439 2.505620
O 5.454794 -0.499951 -3.015698
O -2.616681 1.448717 1.318939
N 3.781584 0.898860 0.084002
N -1.818271 -0.150014 -0.152400
C 2.362757 0.592210 0.019676
C 1.480901 1.389825 0.785515
C 4.470011 0.271384 1.244398
C 4.517059 0.818739 -1.203533
C 1.840172 -0.423995 -0.797573
C 0.469389 -0.675617 -0.876333
C -0.411122 0.114678 -0.090372
C 0.105672 1.130509 0.725227
C 4.172121 -1.222621 1.474228
C 4.985030 -0.573988 -1.664348
C 1.967790 2.500552 1.657134
C -0.027697 -1.761938 -1.776347
C -2.829890 0.528408 0.556054
C -4.201354 -0.006471 0.255958
C -5.123537 0.821965 -0.395339
C -4.564249 -1.296797 0.661602
C -6.413024 0.347895 -0.654233
C -5.856500 -1.762472 0.403451
C -6.778547 -0.942362 -0.256376
H 4.164489 0.850453 2.147020
H 5.568274 0.418951 1.147499
H 3.877580 1.267104 -2.001407
H 5.396858 1.495700 -1.107117
H 2.522802 -1.033303 -1.398968
H -0.577470 1.745369 1.326664
H 3.116723 -1.402036 1.744521
H 4.437088 -1.855323 0.608412
H 5.774906 -0.995246 -1.019760
H 4.139400 -1.291303 -1.740409
H 2.206128 2.136889 2.665723
H 2.879415 2.966687 1.249865
H 1.219815 3.297922 1.766975
H -0.717001 -1.372815 -2.539333
H -0.539364 -2.554809 -1.213596
H 0.790250 -2.250205 -2.326263
H -2.103840 -0.893499 -0.794508
H 4.789492 -1.339700 3.371531
H 6.266427 0.042238 -3.069003
H -4.837987 1.833139 -0.689390
H -3.848832 -1.929575 1.186584
H -7.134450 0.987690 -1.161202
H -6.146624 -2.763272 0.720483
H -7.785355 -1.308233 -0.456571


%chk=000269067-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269067

0 1
O 5.263869 -0.874413 3.120389
O 5.839369 -1.011998 -2.872413
O -2.712247 1.478675 1.272115
N 3.783298 0.616550 -0.071207
N -1.883532 -0.121781 -0.239615
C 2.361142 0.460703 -0.079452
C 1.505958 1.258925 0.748839
C 4.549784 0.529196 1.188455
C 4.545849 0.441797 -1.321508
C 1.750671 -0.468460 -0.971987
C 0.358394 -0.660784 -1.050166
C -0.477085 0.100432 -0.176138
C 0.109092 1.048145 0.698658
C 4.443784 -0.845901 1.898718
C 5.215566 -0.942643 -1.542204
C 2.029441 2.389178 1.617543
C -0.224179 -1.672298 -2.025044
C -2.904159 0.508910 0.470660
C -4.290959 -0.027478 0.208304
C -5.382026 0.835339 0.488036
C -4.554196 -1.343531 -0.258669
C -6.707871 0.404664 0.278603
C -5.882917 -1.775938 -0.464367
C -6.963082 -0.901369 -0.203463
H 4.232852 1.310517 1.904772
H 5.613779 0.727139 0.961584
H 3.875259 0.639144 -2.175955
H 5.344711 1.215806 -1.357169
H 2.387258 -1.080349 -1.619661
H -0.553100 1.656570 1.318517
H 3.381214 -1.079413 2.116934
H 4.856539 -1.651342 1.269975
H 5.960154 -1.154572 -0.746310
H 4.468575 -1.752977 -1.543941
H 2.394753 2.039337 2.604231
H 2.864232 2.915833 1.119976
H 1.227002 3.119699 1.815177
H -0.919459 -1.202446 -2.749853
H -0.774106 -2.485115 -1.507642
H 0.575133 -2.151370 -2.613777
H -2.183525 -0.811942 -0.929839
H 4.862955 -0.271210 3.796002
H 6.578767 -0.354221 -2.920267
H -5.160463 1.834537 0.876716
H -3.737474 -2.058407 -0.421588
H -7.541531 1.082470 0.492185
H -6.075577 -2.796207 -0.813924
H -7.993216 -1.238501 -0.363229


