%chk=000245469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245469

0 1
O 5.119888 -1.095477 -0.384096
O -5.744113 0.373643 0.434654
C 2.678896 -0.544519 -0.251098
C 1.990913 0.749313 0.287614
C 0.595822 0.928700 -0.326273
C -0.274231 -0.284597 0.109374
C 4.119129 -0.389893 0.369039
C 1.842614 -1.746622 0.216397
C 3.044343 1.850481 0.073730
C 0.392377 -1.621984 -0.284432
C 4.393520 1.145192 0.324322
C -1.700322 -0.185500 -0.496319
C -0.069367 2.230030 0.146824
C 2.799699 -0.570739 -1.784100
C -1.455615 2.384744 -0.483822
C -2.329993 1.177045 -0.286798
C 4.291688 -0.982014 1.763212
C -2.594299 -1.299079 0.089818
C -4.059146 -1.160970 -0.349199
C -3.640422 1.328932 -0.029264
C -4.596501 0.208788 0.078259
C -4.919288 -2.287429 0.217400
H 1.856571 0.633554 1.394755
H 0.674153 0.948868 -1.438448
H -0.368834 -0.257520 1.223055
H 1.848084 -1.821206 1.319650
H 2.289873 -2.689225 -0.151099
H 2.895830 2.696678 0.762535
H 2.993678 2.266835 -0.945859
H 0.372161 -1.739885 -1.385614
H -0.199286 -2.465966 0.119819
H 5.126369 1.381344 -0.463349
H 4.852718 1.489745 1.264845
H -1.625896 -0.332200 -1.606071
H 0.560158 3.100574 -0.117833
H -0.153072 2.242828 1.250987
H 3.345328 -1.463696 -2.113773
H 1.813742 -0.603357 -2.263353
H 3.313152 0.313639 -2.173249
H -1.357637 2.568257 -1.576673
H -1.943811 3.296764 -0.080313
H 3.582819 -0.561670 2.481254
H 4.170244 -2.073241 1.740895
H 5.309184 -0.799378 2.135058
H -2.210291 -2.291369 -0.216107
H -2.536977 -1.282280 1.196837
H 5.189469 -0.767387 -1.298322
H -4.116434 -1.190219 -1.468022
H -4.093883 2.310021 0.120689
H -4.822637 -2.367370 1.306807
H -5.985170 -2.098284 0.016078
H -4.658794 -3.256499 -0.217722


%chk=000245469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245469

0 1
O 5.177712 -1.241422 -0.250087
O -5.776859 0.341817 0.740808
C 2.711594 -0.556910 -0.250151
C 2.021627 0.756888 0.232017
C 0.601410 0.941138 -0.335864
C -0.278560 -0.284151 0.071111
C 4.146759 -0.400344 0.400453
C 1.855242 -1.756415 0.216393
C 3.083503 1.857789 -0.023477
C 0.392085 -1.640017 -0.291694
C 4.449277 1.138520 0.229228
C -1.726979 -0.180255 -0.523820
C -0.061559 2.248572 0.151850
C 2.881105 -0.607956 -1.795443
C -1.481006 2.403232 -0.443019
C -2.351958 1.181232 -0.219060
C 4.231619 -0.840960 1.871801
C -2.627944 -1.343686 -0.034302
C -4.132154 -1.140716 -0.339592
C -3.650433 1.311459 0.202081
C -4.608783 0.189273 0.267480
C -4.995478 -2.332658 0.113639
H 1.902857 0.664623 1.335257
H 0.656241 0.986835 -1.445972
H -0.378788 -0.246274 1.180639
H 1.837598 -1.790790 1.323469
H 2.298142 -2.711812 -0.127420
H 2.948382 2.731627 0.637815
H 3.014441 2.226182 -1.065433
H 0.355208 -1.782654 -1.391218
H -0.192621 -2.470711 0.145174
H 5.149650 1.294584 -0.613496
H 4.955263 1.527971 1.130009
H -1.622061 -0.254190 -1.632779
H 0.553300 3.122651 -0.135416
H -0.118305 2.240815 1.259799
H 3.345330 -1.566779 -2.090274
H 1.915625 -0.540571 -2.322693
H 3.510769 0.216583 -2.180438
H -1.376001 2.554352 -1.540189
H -1.981336 3.305843 -0.046791
H 3.492280 -0.316963 2.502689
H 4.072507 -1.928695 1.962470
H 5.240425 -0.615096 2.258205
H -2.300082 -2.293504 -0.494852
H -2.499638 -1.457801 1.062741
H 5.309195 -0.923077 -1.178525
H -4.241311 -1.021330 -1.441972
H -4.054710 2.297182 0.467345
H -4.856916 -2.528465 1.192869
H -6.065655 -2.120569 -0.045795
H -4.723607 -3.247995 -0.442873


