%chk=000186570.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186570

0 1
O 1.027005 2.965893 0.695147
C -2.190399 1.363389 -0.407345
C -1.774211 -0.056303 -0.092456
C -1.255347 2.348068 0.305468
C -0.366267 -0.343063 0.006654
C 0.641411 0.678726 -0.075553
C 0.198548 2.128890 -0.135356
C -3.657080 1.640530 -0.029711
C -2.705983 -1.067078 0.038530
C 1.986887 0.346838 -0.118887
C -4.560806 0.545044 -0.602471
C -4.190433 -0.821454 -0.012970
C 0.042599 -1.688719 0.173934
C 2.387237 -1.027857 0.017665
C 3.033769 1.417447 -0.277684
C 3.832434 -1.448971 -0.043821
C 1.432911 -2.004997 0.185090
C 4.399245 0.894345 -0.732391
C 4.823748 -0.294619 0.132448
C -2.275069 -2.413899 0.257431
C -0.941971 -2.718206 0.313204
H -2.082044 1.497008 -1.516899
H -1.548231 3.394737 0.100819
H -1.338662 2.225414 1.403135
H 0.386743 2.553107 -1.151437
H -3.964910 2.632273 -0.407636
H -3.767055 1.682424 1.071067
H -4.468093 0.516184 -1.705832
H -5.621889 0.772990 -0.390649
H -4.689461 -1.621826 -0.596326
H -4.592522 -0.904676 1.019964
H 2.682519 2.198042 -0.986565
H 3.140592 1.953494 0.692045
H 4.033995 -2.227660 0.720126
H 4.007343 -1.939426 -1.026670
H 1.721519 -3.047315 0.315220
H 4.355424 0.593452 -1.797102
H 5.149663 1.704518 -0.673360
H 4.868405 0.008124 1.196708
H 5.843654 -0.626386 -0.135629
H -3.026908 -3.193060 0.369875
H -0.607348 -3.743384 0.461586
H 1.014339 2.652861 1.621831


%chk=000186570-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186570

0 1
O 1.016323 2.982576 0.949326
C -2.197187 1.379572 -0.399632
C -1.789060 -0.051390 -0.057031
C -1.281515 2.358543 0.359526
C -0.376300 -0.336594 0.076497
C 0.635480 0.693566 -0.008598
C 0.204366 2.166673 0.004152
C -3.693445 1.653468 -0.131780
C -2.737995 -1.078685 0.077443
C 2.008739 0.352810 -0.095071
C -4.567068 0.527728 -0.723166
C -4.237496 -0.814426 -0.035994
C 0.047028 -1.707932 0.253570
C 2.411089 -1.027653 0.027577
C 3.074038 1.430794 -0.309371
C 3.873524 -1.459457 -0.092281
C 1.439750 -2.010238 0.243684
C 4.416763 0.881302 -0.835785
C 4.881793 -0.300304 0.039417
C -2.297049 -2.420611 0.330601
C -0.943738 -2.734199 0.400373
H -2.018956 1.527053 -1.489727
H -1.563414 3.407833 0.155351
H -1.411077 2.188399 1.449190
H 0.424091 2.644208 -0.970237
H -3.971433 2.634465 -0.562774
H -3.867412 1.718489 0.962363
H -4.371447 0.448899 -1.811456
H -5.641985 0.760405 -0.602227
H -4.720151 -1.651841 -0.576742
H -4.678635 -0.816260 0.983634
H 2.683870 2.212198 -0.988143
H 3.250868 1.961306 0.645187
H 4.084610 -2.247496 0.656383
H 4.015969 -1.936236 -1.085170
H 1.749660 -3.055465 0.377608
H 4.311615 0.539526 -1.885736
H 5.168457 1.693261 -0.832594
H 4.945918 0.033663 1.094687
H 5.891013 -0.644186 -0.256277
H -3.051052 -3.210393 0.439513
H -0.616307 -3.770106 0.549088
H 0.883059 2.601630 1.855819


