%chk=000200664.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200664

0 1
O 3.481507 -0.462757 1.889744
O 5.360439 0.023157 -0.920042
O -6.076332 -0.447978 1.137722
C 2.113913 -0.213281 -0.163914
C 1.238810 0.961176 0.380990
C -0.125834 0.994284 -0.320422
C -0.859893 -0.334541 0.026815
C 3.474631 0.083290 0.560878
C 1.421127 -1.527648 0.222479
C 2.165110 2.186225 0.293209
C -0.006345 -1.565796 -0.349378
C -2.278743 -0.381051 -0.632786
C 3.570840 1.629211 0.607546
C -0.955319 2.206875 0.130643
C 2.345543 -0.151091 -1.678981
C -2.352885 2.184982 -0.499034
C -3.040494 0.878389 -0.217669
C 4.699807 -0.583438 -0.108088
C -2.222059 -0.423483 -2.171887
C -2.988108 -1.647093 -0.182944
C -4.250645 0.839396 0.360169
C 4.987670 -1.989427 0.302715
C -4.190152 -1.668999 0.395985
C -4.953858 -0.422227 0.674824
H 1.045909 0.773144 1.469776
H 0.023111 1.051170 -1.426331
H -1.022236 -0.356905 1.134479
H 1.405048 -1.641254 1.324015
H 1.995432 -2.396547 -0.148935
H 1.872544 2.976535 1.001449
H 2.137081 2.642111 -0.711374
H 0.047316 -1.660492 -1.452066
H -0.507866 -2.486388 0.009580
H 4.315904 1.990241 -0.129588
H 3.937498 1.963023 1.592025
H -0.436602 3.144573 -0.145745
H -1.044286 2.225085 1.234681
H 2.828279 -1.060070 -2.054038
H 1.401908 -0.034229 -2.225534
H 2.987633 0.693557 -1.964259
H -2.286777 2.340858 -1.596725
H -2.947094 3.042015 -0.120093
H -1.745649 -1.341558 -2.534516
H -3.229893 -0.385070 -2.604727
H -1.652735 0.420232 -2.578634
H -2.442924 -2.572191 -0.387754
H 2.846044 0.017337 2.460569
H -4.796095 1.740532 0.643654
H 4.993385 -2.082496 1.404382
H 4.216242 -2.682127 -0.059447
H 5.959214 -2.334506 -0.076396
H -4.689023 -2.590855 0.696977


%chk=000200664-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200664

0 1
O 3.323239 -0.412228 1.995801
O 5.399985 -0.176701 -0.867184
O -5.959795 -0.533147 1.600881
C 2.148976 -0.217898 -0.249122
C 1.256562 0.959213 0.266493
C -0.140256 1.013770 -0.391307
C -0.862231 -0.346416 -0.110550
C 3.470216 0.064712 0.600766
C 1.429624 -1.551678 0.048126
C 2.188546 2.193698 0.189797
C -0.000588 -1.560176 -0.560977
C -2.352158 -0.369659 -0.693578
C 3.602831 1.622420 0.544698
C -0.966465 2.209676 0.133500
C 2.469438 -0.100795 -1.764060
C -2.409207 2.204510 -0.440364
C -3.075284 0.872685 -0.165377
C 4.713364 -0.677451 0.064348
C -2.354690 -0.344862 -2.262570
C -3.047182 -1.654567 -0.280341
C -4.229341 0.793518 0.568149
C 5.057893 -2.018008 0.683499
C -4.199480 -1.713391 0.445234
C -4.879453 -0.484998 0.922336
H 1.057936 0.759135 1.348922
H -0.013402 1.142543 -1.486560
H -0.979501 -0.417117 0.994554
H 1.371511 -1.703256 1.143484
H 1.998520 -2.407518 -0.365769
H 1.879059 2.996625 0.881373
H 2.181115 2.621022 -0.830322
H 0.073356 -1.582332 -1.665043
H -0.494493 -2.501181 -0.257155
H 4.355715 1.895485 -0.213525
H 3.972669 1.986863 1.520055
H -0.466342 3.160179 -0.131611
H -1.017021 2.164624 1.241195
H 3.013234 -0.997255 -2.112085
H 1.549312 -0.019158 -2.367067
H 3.107942 0.767243 -1.996094
H -2.355385 2.394004 -1.532001
H -3.001811 3.025499 0.001338
H -1.915031 -1.271393 -2.671129
H -3.390979 -0.270174 -2.635734
H -1.782473 0.509458 -2.662888
H -2.591182 -2.585863 -0.642089
H 2.618353 0.123257 2.439408
H -4.722469 1.701084 0.938746
H 5.389632 -1.862577 1.726437
H 4.166680 -2.666887 0.748450
H 5.856939 -2.503249 0.101807
H -4.676331 -2.667391 0.699108


