%chk=000227916.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227916

0 1
O 1.785177 0.211893 1.010138
O 2.888836 1.239029 -0.670431
C -2.063358 1.009351 -0.627017
C -1.043793 0.772325 0.506182
C -2.817403 -0.293566 -0.971473
C 0.037034 1.857574 0.555458
C -3.028986 2.157918 -0.266302
C -3.613789 -0.885846 0.197733
C 1.214327 1.496221 1.466583
C -4.430409 -2.109843 -0.240867
C -3.805778 2.674216 -1.475039
C 0.851481 1.209703 2.913784
C 3.011039 -1.215085 -0.402266
C 2.598157 0.214430 -0.096440
C 2.481083 -1.596266 -1.797758
C 4.545985 -1.319814 -0.333478
C -5.215590 -2.711448 0.922768
C 0.957933 -1.663578 -1.836930
C 5.070551 -1.147460 1.088169
H -1.498178 1.309564 -1.546367
H -0.552909 -0.214346 0.369725
H -1.564124 0.711137 1.480004
H -3.501770 -0.091962 -1.819604
H -2.093126 -1.043364 -1.344450
H 0.432499 2.043955 -0.467195
H -0.399389 2.820279 0.884789
H -3.736243 1.820124 0.516921
H -2.456936 2.992488 0.184675
H -2.929376 -1.168435 1.019823
H -4.288684 -0.114729 0.619652
H 2.021611 2.259630 1.382010
H -3.757898 -2.876076 -0.673275
H -5.127107 -1.826105 -1.053734
H -4.473626 3.495899 -1.193737
H -3.135625 3.048701 -2.256982
H -4.424819 1.887306 -1.921909
H 0.257614 2.022413 3.345544
H 1.748453 1.073752 3.530232
H 0.266918 0.282957 3.000152
H 2.557613 -1.895452 0.364636
H 2.907005 -2.575718 -2.092897
H 2.847054 -0.865599 -2.549292
H 5.003311 -0.559179 -1.000733
H 4.862363 -2.303984 -0.732370
H -5.796660 -3.582486 0.600235
H -5.918788 -1.988305 1.351233
H -4.551838 -3.040326 1.730307
H 0.562663 -2.393364 -1.120669
H 0.601510 -1.952473 -2.832394
H 0.501438 -0.693105 -1.597531
H 4.659308 -1.901209 1.769724
H 6.162796 -1.236626 1.119014
H 4.814147 -0.162916 1.499548


%chk=000227916-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227916

0 1
O 1.835309 0.059111 1.026576
O 3.038863 1.235816 -0.591924
C -2.136975 0.948368 -0.604774
C -1.110019 0.679735 0.532550
C -2.988591 -0.318397 -0.908775
C 0.028301 1.724591 0.593674
C -2.997738 2.209417 -0.309613
C -3.931007 -0.789745 0.224484
C 1.209417 1.347437 1.513376
C -4.700273 -2.079146 -0.144925
C -3.965683 2.604697 -1.446567
C 0.842223 1.085998 2.975905
C 3.258586 -1.222404 -0.450088
C 2.726437 0.149509 -0.044973
C 2.794971 -1.555487 -1.898597
C 4.809960 -1.234340 -0.345950
C -5.660086 -2.550770 0.968901
C 1.263922 -1.671615 -2.057856
C 5.339546 -1.016749 1.087250
H -1.552049 1.161539 -1.528824
H -0.659429 -0.320877 0.377546
H -1.640637 0.641306 1.504830
H -3.594706 -0.142583 -1.820872
H -2.294204 -1.148389 -1.159941
H 0.430711 1.897483 -0.423344
H -0.359173 2.700880 0.947674
H -3.570798 2.050084 0.626781
H -2.320067 3.063667 -0.112440
H -3.349703 -0.970433 1.151247
H -4.663830 0.007758 0.464110
H 1.988782 2.128896 1.429191
H -3.971552 -2.883752 -0.373484
H -5.272850 -1.905730 -1.079374
H -4.480275 3.556164 -1.216950
H -3.421268 2.738243 -2.400892
H -4.743946 1.836951 -1.609118
H 0.345095 1.975885 3.403298
H 1.745329 0.870457 3.572124
H 0.156697 0.226681 3.065979
H 2.836321 -1.968757 0.249201
H 3.272231 -2.511058 -2.192612
H 3.187518 -0.775195 -2.579367
H 5.210967 -0.451360 -1.018222
H 5.168259 -2.209084 -0.731852
H -6.195401 -3.474235 0.680423
H -6.418277 -1.776256 1.192022
H -5.108765 -2.758228 1.905632
H 0.848973 -2.441645 -1.380616
H 0.996850 -1.949440 -3.093716
H 0.759685 -0.714556 -1.828636
H 4.945645 -1.782904 1.781011
H 6.443156 -1.070478 1.111705
H 5.045253 -0.024863 1.476711


