%chk=000231206.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231206

0 1
O 0.267984 -0.177670 2.299546
O -3.087081 0.083541 -0.904794
O -2.074324 2.059586 1.929152
O -1.693837 -1.696379 -0.746637
O -2.988961 0.017406 2.333009
C 0.961796 -0.823036 0.066435
C 0.032345 -0.240747 1.123278
C 2.304072 -1.298097 0.583573
C 1.168022 0.160896 -1.065757
C -1.296587 0.332863 0.574041
C 2.912488 -2.383752 -0.069665
C 1.835662 1.374360 -0.843108
C 2.962253 -0.679387 1.654283
C 0.687220 -0.146546 -2.346920
C -2.003307 -0.580235 -0.403335
C -2.230047 0.715885 1.714202
C 4.163757 -2.841580 0.347711
C 2.017152 2.273518 -1.896700
C 4.214002 -1.144567 2.069680
C 0.874453 0.756145 -3.397205
C 4.818349 -2.222945 1.418332
C 1.536716 1.967367 -3.174379
C -3.943550 -0.620826 -1.868541
C -2.845398 2.674554 3.016026
C -3.282787 -0.629434 -3.229044
C -4.287238 2.847263 2.591843
H 0.411973 -1.740173 -0.328184
H -1.021297 1.284999 0.016732
H 2.412315 -2.870038 -0.905554
H 2.226786 1.608978 0.146759
H 2.493804 0.149531 2.187114
H 0.169724 -1.090256 -2.524627
H 4.629899 -3.683389 -0.161678
H 2.538512 3.214049 -1.722051
H 4.716031 -0.663369 2.907780
H 0.505567 0.512781 -4.392559
H 5.792312 -2.582249 1.743517
H 1.682024 2.668898 -3.993802
H -4.851396 0.009412 -1.822439
H -4.145647 -1.634681 -1.479438
H -2.301919 3.630495 3.130802
H -2.734417 2.046623 3.918102
H -2.946358 0.374132 -3.521885
H -2.400146 -1.286124 -3.241689
H -3.970144 -0.989242 -4.004883
H -4.366136 3.349345 1.618860
H -4.793315 1.873879 2.495451
H -4.852027 3.439614 3.321547


%chk=000231206-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231206

0 1
O 0.136787 -0.368495 2.284397
O -3.191877 -0.023090 -1.012513
O -1.984374 1.985233 1.985686
O -1.746867 -1.839783 -0.822086
O -3.156527 -0.031703 2.131965
C 1.009770 -0.827451 0.018752
C -0.030099 -0.324108 1.044776
C 2.335443 -1.291363 0.628682
C 1.213612 0.194865 -1.116521
C -1.348193 0.266988 0.459663
C 2.938122 -2.464338 0.108582
C 1.774608 1.473002 -0.858483
C 3.015619 -0.572399 1.644562
C 0.850105 -0.134097 -2.446638
C -2.077248 -0.673799 -0.510998
C -2.284042 0.684923 1.601980
C 4.193044 -2.909137 0.580093
C 1.965081 2.399509 -1.906496
C 4.269406 -1.015798 2.119629
C 1.046165 0.789999 -3.498418
C 4.865651 -2.182783 1.588745
C 1.602618 2.061476 -3.231818
C -4.071830 -0.803740 -1.943779
C -2.739807 2.518637 3.165721
C -3.598614 -0.639803 -3.389719
C -4.075394 3.121603 2.723796
H 0.512295 -1.710143 -0.433527
H -1.076297 1.176994 -0.108682
H 2.420881 -3.033444 -0.674218
H 2.075556 1.742019 0.160749
H 2.556810 0.314427 2.091576
H 0.415450 -1.118873 -2.657408
H 4.640801 -3.819282 0.165386
H 2.399670 3.382223 -1.691412
H 4.777884 -0.453633 2.911162
H 0.767325 0.516642 -4.522411
H 5.837955 -2.524744 1.961017
H 1.755163 2.779181 -4.045484
H -5.068613 -0.366072 -1.778009
H -4.060562 -1.860690 -1.626780
H -2.057334 3.274342 3.585398
H -2.884651 1.693440 3.884415
H -3.553964 0.425972 -3.672154
H -2.601472 -1.089532 -3.532334
H -4.306537 -1.148875 -4.069781
H -3.922831 3.906259 1.962788
H -4.736957 2.343282 2.308619
H -4.582431 3.577556 3.594433


