%chk=000286345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286345

0 1
O -0.965275 -0.096697 2.671464
C -0.862207 0.022306 0.187376
C 1.494132 0.026272 0.212241
C 0.387189 0.035454 -0.689842
C 2.786886 0.025258 -0.245912
C 1.209127 -0.008080 1.607533
C 3.088298 0.025028 -1.641322
C -0.280815 -0.035085 1.687803
C 3.896765 0.004723 0.650539
C 4.597670 0.016348 -1.722140
C 5.122530 0.004224 -0.232849
C -1.658904 -1.227030 -0.137615
C -1.696671 1.285273 0.108011
C 0.666632 0.023372 -2.034742
C 2.031817 0.022188 -2.518906
C 2.270717 -0.024941 2.484049
C 3.632076 -0.016571 2.001403
C -2.675318 -1.176455 -1.104936
C -2.858982 1.372112 0.896140
C -1.356082 -2.450120 0.479373
C -1.338895 2.365501 -0.708127
C -3.386700 -2.331269 -1.438567
C -3.655047 2.516605 0.853449
C -2.072247 -3.602560 0.143156
C -2.141063 3.511522 -0.748485
C -3.088611 -3.546950 -0.814811
C -3.299878 3.589299 0.027112
H 4.964226 -0.869666 -2.268455
H 4.975347 0.903901 -2.258139
H 5.756909 0.886310 -0.038145
H 5.748265 -0.886397 -0.049646
H -0.133380 0.010015 -2.774105
H 2.185118 0.014419 -3.594541
H 2.105854 -0.048339 3.562306
H 4.432559 -0.030967 2.736135
H -2.916664 -0.232535 -1.594064
H -3.124991 0.541258 1.555327
H -0.564468 -2.514139 1.224931
H -0.433180 2.329425 -1.312259
H -4.176696 -2.282738 -2.186148
H -4.552189 2.575662 1.467672
H -1.835314 -4.546469 0.631655
H -1.855803 4.346038 -1.386476
H -3.645422 -4.444828 -1.073666
H -3.922112 4.481020 -0.006176


%chk=000286345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286345

0 1
O -0.959053 -0.164667 2.739403
C -0.880896 -0.028763 0.192713
C 1.503010 0.033313 0.196728
C 0.393097 -0.013738 -0.678418
C 2.815699 0.051014 -0.272067
C 1.218195 0.027587 1.583854
C 3.123778 0.017173 -1.654011
C -0.265576 -0.069084 1.697848
C 3.922776 0.082139 0.609023
C 4.654481 0.039448 -1.767482
C 5.182818 0.084665 -0.264347
C -1.723329 -1.283771 -0.117100
C -1.707998 1.273620 0.113381
C 0.670708 -0.058254 -2.053461
C 2.039401 -0.041813 -2.545703
C 2.300986 0.058685 2.487402
C 3.659619 0.091096 1.995991
C -2.693640 -1.243638 -1.151827
C -2.921236 1.358739 0.848181
C -1.485830 -2.516823 0.541321
C -1.275403 2.406588 -0.619017
C -3.408542 -2.404364 -1.518494
C -3.685035 2.543775 0.840759
C -2.203188 -3.678495 0.178439
C -2.043432 3.594366 -0.629097
C -3.166362 -3.629059 -0.854583
C -3.251517 3.668458 0.098648
H 5.038247 -0.855260 -2.291976
H 5.010623 0.918651 -2.335986
H 5.796531 0.987534 -0.086265
H 5.829472 -0.785274 -0.044363
H -0.143456 -0.115970 -2.785097
H 2.198531 -0.080849 -3.629462
H 2.121825 0.052115 3.568113
H 4.478613 0.113615 2.723818
H -2.899476 -0.294937 -1.660628
H -3.252201 0.495129 1.434036
H -0.748204 -2.573920 1.349038
H -0.339331 2.365174 -1.185452
H -4.155965 -2.351999 -2.318447
H -4.616883 2.591405 1.415491
H -2.011806 -4.620698 0.704508
H -1.695122 4.459804 -1.204623
H -3.723666 -4.530122 -1.134593
H -3.846059 4.589098 0.091408


