%chk=000217190.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217190

0 1
O 4.195230 1.989965 0.420768
O -4.189169 -1.222176 1.070423
O -4.739233 -1.364887 -1.114214
C -0.680952 1.069589 -0.199891
C -1.689374 -0.115638 -0.064148
C 0.702074 0.547218 0.315086
C -1.148078 2.227383 0.720606
C -3.132526 0.341474 -0.382839
C -1.275319 -1.299559 -0.957931
C -2.585909 2.669480 0.427689
C -3.565080 1.496574 0.536661
C 1.091132 -0.773742 -0.320013
C 1.825978 1.579817 0.126749
C -0.580536 1.554904 -1.653317
C 0.186278 -1.602837 -0.868381
C 3.146135 1.051484 0.710240
C 2.512727 -1.144776 -0.263188
C 3.480517 -0.332432 0.190683
C -4.100346 -0.818975 -0.245287
C 4.938933 -0.735305 0.264198
C 5.125832 -1.879261 1.269535
C 5.472049 -1.120369 -1.121881
C -5.083048 -2.331007 1.353434
H -1.670755 -0.461468 1.001200
H 0.597910 0.347075 1.415622
H -0.465426 3.091178 0.610402
H -1.069466 1.915642 1.780114
H -3.180515 0.683690 -1.451268
H -1.537153 -1.097082 -2.019364
H -1.860181 -2.201251 -0.678285
H -2.645417 3.122513 -0.581134
H -2.881817 3.468478 1.134819
H -3.617805 1.138053 1.585750
H -4.587985 1.827865 0.275396
H 1.961325 1.807775 -0.948040
H 1.564971 2.540547 0.608083
H -0.037476 2.502193 -1.728354
H -0.055769 0.824252 -2.280857
H -1.570737 1.714447 -2.094526
H 0.476667 -2.560053 -1.299996
H 3.139152 1.055769 1.827085
H 2.753988 -2.149598 -0.617565
H 5.534793 0.146267 0.630035
H 4.361921 2.040661 -0.541471
H 4.595518 -2.786213 0.960060
H 4.748758 -1.600747 2.259920
H 6.184407 -2.138268 1.379078
H 5.311456 -0.316754 -1.847904
H 4.981231 -2.017987 -1.513539
H 6.547513 -1.325854 -1.085786
H -6.103916 -2.063162 1.063774
H -4.980872 -2.450703 2.436670
H -4.749133 -3.219588 0.808904


%chk=000217190-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217190

0 1
O 4.289589 1.978676 0.433762
O -4.078869 -1.445499 0.994879
O -4.909899 -1.179992 -1.161178
C -0.705299 1.144746 -0.201318
C -1.712243 -0.060813 -0.154684
C 0.702124 0.569956 0.197288
C -1.141344 2.204097 0.857421
C -3.198157 0.395820 -0.301045
C -1.347797 -1.142161 -1.201145
C -2.609211 2.659841 0.705836
C -3.571525 1.455425 0.773532
C 1.075120 -0.691359 -0.587767
C 1.863006 1.592578 0.094695
C -0.651511 1.786021 -1.615104
C 0.129364 -1.455745 -1.216015
C 3.187579 0.998991 0.613547
C 2.492814 -1.076313 -0.606083
C 3.507710 -0.350703 -0.036344
C -4.146498 -0.794086 -0.245629
C 4.958402 -0.827534 0.041308
C 5.380299 -1.021296 1.528276
C 5.251917 -2.103558 -0.776457
C -4.964861 -2.623377 1.150257
H -1.617082 -0.519573 0.852303
H 0.630356 0.275615 1.270457
H -0.474370 3.085870 0.802914
H -1.011965 1.766698 1.870550
H -3.346465 0.834167 -1.306602
H -1.678665 -0.819942 -2.213412
H -1.920752 -2.069349 -0.993692
H -2.746490 3.197878 -0.253088
H -2.859682 3.380474 1.508172
H -3.514084 0.984533 1.773548
H -4.617470 1.786788 0.626405
H 2.007884 1.884334 -0.965251
H 1.642216 2.509984 0.668688
H -0.084434 2.734331 -1.595197
H -0.160727 1.114947 -2.341982
H -1.658223 2.021269 -2.002506
H 0.447888 -2.352503 -1.767907
H 3.147205 0.894870 1.715167
H 2.722849 -2.036986 -1.085172
H 5.597435 -0.009596 -0.352933
H 4.370663 2.168637 -0.536737
H 4.752978 -1.791028 2.015548
H 5.287169 -0.077808 2.092880
H 6.435048 -1.347905 1.586884
H 4.979020 -1.980456 -1.840823
H 4.699297 -2.975380 -0.377891
H 6.330099 -2.341553 -0.727216
H -6.020346 -2.327756 1.027339
H -4.770241 -2.989133 2.168254
H -4.717323 -3.390542 0.397071


