%chk=000180402.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180402

0 1
O -1.957256 1.449312 -0.420648
O -6.220197 -2.022917 -0.072202
C 4.051101 -0.751067 0.215973
C 3.436298 0.431660 1.002635
C 4.216995 -0.413177 -1.280253
C 5.377709 -1.179540 0.878059
C 1.998668 0.665766 0.632277
C 5.211614 0.706718 -1.574408
C 5.905478 -2.503161 0.330233
C 1.654303 1.682267 -0.277182
C 0.988403 -0.130803 1.192664
C 0.324806 1.903602 -0.628456
C -0.353382 0.073641 0.860972
C -0.661862 1.090137 -0.047741
C -2.984794 0.510863 -0.267382
C -2.892781 -0.785528 -0.799599
C -4.147501 0.999014 0.341186
C -4.000856 -1.621401 -0.717526
C -5.265260 0.165558 0.416764
C -5.172863 -1.130957 -0.110158
H 3.338791 -1.612771 0.282431
H 4.040071 1.345562 0.831029
H 3.513381 0.236960 2.091889
H 3.224450 -0.142082 -1.694876
H 4.526879 -1.329623 -1.820832
H 5.231663 -1.271029 1.972496
H 6.139502 -0.387487 0.742348
H 5.248720 0.927968 -2.646797
H 6.226204 0.436470 -1.258749
H 4.942182 1.633431 -1.055172
H 5.179090 -3.313480 0.458304
H 6.134046 -2.433523 -0.739994
H 6.826381 -2.803112 0.842633
H 2.435494 2.301673 -0.718066
H 1.248377 -0.919149 1.898728
H 0.039604 2.684441 -1.329682
H -1.134008 -0.535947 1.308766
H -1.969487 -1.120535 -1.271864
H -4.169481 2.014235 0.735826
H -3.984893 -2.635353 -1.113961
H -6.182745 0.519940 0.876900
H -7.021644 -1.634978 0.355636


%chk=000180402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180402

0 1
O -2.019313 1.574017 -0.139560
O -6.287066 -2.102012 -0.400577
C 4.106419 -0.790431 0.301575
C 3.529487 0.458100 1.046172
C 4.089482 -0.618214 -1.244793
C 5.508892 -1.141103 0.869802
C 2.065669 0.739682 0.740653
C 5.054616 0.452643 -1.804217
C 6.132750 -2.424312 0.279913
C 1.673830 1.800227 -0.116847
C 1.041843 -0.069201 1.300790
C 0.316692 2.041088 -0.419089
C -0.321801 0.156303 1.016602
C -0.676943 1.213326 0.145714
C -3.048125 0.595833 -0.152670
C -2.876857 -0.694136 -0.711569
C -4.310193 1.008903 0.322067
C -3.973214 -1.575682 -0.778920
C -5.410929 0.128256 0.247513
C -5.239186 -1.166595 -0.298613
H 3.432795 -1.644825 0.534587
H 4.144252 1.344795 0.797727
H 3.653773 0.286352 2.134706
H 3.055599 -0.371998 -1.556043
H 4.325614 -1.592875 -1.715153
H 5.418190 -1.257358 1.969684
H 6.197496 -0.286546 0.710223
H 4.943065 0.538361 -2.900773
H 6.111043 0.201848 -1.596385
H 4.856184 1.451554 -1.373146
H 5.454787 -3.289925 0.406602
H 6.343274 -2.318469 -0.799824
H 7.086928 -2.667729 0.782836
H 2.442199 2.447522 -0.556873
H 1.313514 -0.882784 1.985192
H 0.012247 2.859645 -1.078272
H -1.095752 -0.466673 1.475840
H -1.900952 -1.003024 -1.098413
H -4.417907 2.014827 0.737752
H -3.867330 -2.576435 -1.207571
H -6.392560 0.452383 0.616377
H -7.131310 -1.723738 -0.050817


