%chk=000231027.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231027

0 1
O 2.777992 0.403032 -0.353944
O 4.072773 0.875292 1.440744
C -1.474611 0.131872 -0.304942
C -2.081666 -1.111585 0.391058
C -2.276177 1.430362 0.029562
C 0.837120 -0.998732 -0.309044
C 0.014472 0.259777 0.063281
C -1.291020 -2.377481 0.004608
C 0.196140 -2.245673 0.348903
C -3.564111 -1.286580 0.010161
C -3.769471 1.208824 -0.335784
C -4.369339 -0.026284 0.343680
C 2.266855 -0.823866 0.295246
C -1.747728 2.597013 -0.833508
C -2.153981 1.817640 1.513862
C 0.928299 -1.157489 -1.832344
C 3.260159 -1.930580 -0.013577
C 3.694613 1.161605 0.327721
C 4.089133 2.325495 -0.516279
H -1.547155 -0.023607 -1.410342
H -2.010925 -0.969834 1.496369
H 0.455445 1.139927 -0.445415
H 0.112419 0.457123 1.147767
H -1.408085 -2.582288 -1.076774
H -1.713644 -3.256524 0.526382
H 0.314059 -2.189300 1.448321
H 0.730093 -3.160014 0.029534
H -3.990061 -2.157639 0.540930
H -3.655076 -1.513546 -1.068908
H -3.866862 1.108178 -1.433314
H -4.354713 2.105783 -0.062987
H -5.420637 -0.155358 0.024389
H -4.401874 0.123083 1.440215
H 2.219325 -0.624652 1.390306
H -0.698033 2.815347 -0.609373
H -1.812595 2.372750 -1.902290
H -2.315745 3.514646 -0.653014
H -1.123351 2.071822 1.781147
H -2.776163 2.685708 1.752013
H -2.469932 0.997134 2.167311
H 1.535748 -0.353506 -2.268156
H 1.383516 -2.110053 -2.117891
H -0.063631 -1.112433 -2.296337
H 3.487462 -1.980420 -1.085930
H 4.210052 -1.757189 0.511604
H 2.886367 -2.912630 0.296024
H 3.554387 2.346676 -1.478494
H 5.168724 2.299640 -0.731288
H 3.885934 3.272236 0.007394


%chk=000231027-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231027

0 1
O 2.862178 0.411623 -0.405562
O 3.987324 0.891018 1.585035
C -1.500775 0.126603 -0.301763
C -2.091749 -1.127033 0.407898
C -2.301227 1.448996 0.009539
C 0.854835 -1.020175 -0.392001
C 0.016468 0.240157 -0.001034
C -1.301870 -2.393957 -0.000737
C 0.211327 -2.273023 0.281239
C -3.599130 -1.299772 0.109334
C -3.812276 1.195131 -0.295504
C -4.403541 -0.025404 0.443141
C 2.285238 -0.846826 0.203007
C -1.822577 2.594614 -0.924251
C -2.132592 1.914163 1.482598
C 0.921734 -1.185210 -1.932696
C 3.291836 -1.977198 -0.052533
C 3.701280 1.182102 0.399092
C 4.210364 2.395018 -0.353180
H -1.626780 -0.040299 -1.396426
H -1.969171 -0.991793 1.505993
H 0.445303 1.117825 -0.516905
H 0.151305 0.410558 1.088002
H -1.471102 -2.591056 -1.079487
H -1.705862 -3.272522 0.541755
H 0.364627 -2.208945 1.380035
H 0.724173 -3.193142 -0.060978
H -3.994894 -2.168664 0.672813
H -3.725517 -1.535583 -0.969407
H -3.928440 1.036812 -1.389221
H -4.386599 2.110230 -0.045389
H -5.465714 -0.157733 0.157905
H -4.391136 0.148563 1.537724
H 2.207821 -0.663338 1.293335
H -0.785230 2.905237 -0.704969
H -1.869629 2.286212 -1.986635
H -2.468092 3.485618 -0.802377
H -1.091456 2.218471 1.693056
H -2.779764 2.790254 1.678585
H -2.406498 1.128466 2.209039
H 1.465515 -0.338290 -2.386788
H 1.439057 -2.120024 -2.217230
H -0.086409 -1.221776 -2.379434
H 3.477198 -2.116047 -1.131057
H 4.250212 -1.742020 0.441237
H 2.923853 -2.929936 0.366550
H 3.778508 2.451935 -1.362609
H 5.311130 2.345273 -0.423882
H 3.961246 3.308589 0.213740


