%chk=000180516.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180516

0 1
O -5.604583 1.326581 -0.120336
O 3.195238 -4.932272 0.452648
O 4.914776 4.114838 -1.293162
O 4.058670 4.416831 0.749954
C -1.981734 1.003921 0.067730
C -3.385280 0.348403 -0.154532
C -0.969970 -0.056952 0.512015
C -0.810947 -1.067003 -0.660892
C -3.261782 -0.636588 -1.329223
C -4.236417 1.626188 -0.436809
C -2.274014 2.212640 0.973731
C 0.399374 0.519895 0.932791
C -2.178857 -1.689140 -1.030770
C -3.659029 2.716711 0.503865
C -3.949188 -0.364810 1.079810
C 0.235268 -2.114014 -0.342093
C 1.251488 -0.639365 1.486932
C 1.126463 1.256786 -0.209347
C 1.218692 -1.887432 0.648304
C 0.273720 -3.305698 -1.080345
C 2.232633 2.176074 0.319926
C 2.201607 -2.854181 0.895412
C 1.243670 -4.283264 -0.851137
C 2.196565 -4.036394 0.144780
C 2.985380 2.855357 -0.829532
C 3.978059 3.850564 -0.313358
H -1.628047 1.413442 -0.914911
H -1.381696 -0.604765 1.396930
H -0.441840 -0.506154 -1.559689
H -3.023522 -0.100127 -2.265146
H -4.232701 -1.136972 -1.507533
H -4.196847 1.932274 -1.500702
H -1.502291 2.991794 0.880216
H -2.299538 1.922407 2.037533
H 0.223268 1.248400 1.763398
H -2.517895 -2.346050 -0.204985
H -2.062741 -2.346899 -1.913482
H -4.333228 2.866647 1.364807
H -3.578682 3.686446 -0.008418
H -4.999807 -0.641532 0.906411
H -3.393658 -1.275612 1.321990
H -3.941406 0.283099 1.962257
H 0.900260 -0.898141 2.509889
H 2.300379 -0.298632 1.618379
H 0.394863 1.849973 -0.792739
H 1.551137 0.517804 -0.917681
H -6.162918 2.114165 -0.250586
H -0.471570 -3.482291 -1.859337
H 1.805602 2.946861 0.995098
H 2.945223 1.598449 0.943949
H 2.967226 -2.710300 1.654117
H 1.253563 -5.199636 -1.428743
H 2.278075 3.376244 -1.513107
H 3.497478 2.101877 -1.469292
H 3.145310 -5.747328 -0.102106
H 5.594799 4.779781 -1.006980


%chk=000180516-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180516

0 1
O -5.699448 1.401950 -0.432444
O 3.398773 -4.887531 0.381658
O 4.836458 4.285189 -1.490955
O 4.489378 3.994028 0.785386
C -2.049758 0.998673 0.120420
C -3.456650 0.363941 -0.128696
C -1.005250 -0.052612 0.538999
C -0.858309 -1.084989 -0.621256
C -3.331178 -0.665333 -1.277511
C -4.251378 1.651977 -0.470590
C -2.338556 2.217664 1.036873
C 0.378349 0.520298 0.961303
C -2.234197 -1.723849 -0.978940
C -3.756332 2.708385 0.574048
C -4.073056 -0.301381 1.130614
C 0.244814 -2.114296 -0.331327
C 1.191116 -0.647634 1.572607
C 1.142046 1.236317 -0.186278
C 1.229332 -1.886390 0.679371
C 0.349678 -3.297318 -1.105909
C 2.302144 2.125412 0.314764
C 2.262177 -2.830295 0.883724
C 1.375329 -4.243139 -0.902364
C 2.336509 -4.002857 0.106589
C 3.046370 2.806894 -0.849122
C 4.162191 3.724808 -0.390861
H -1.724709 1.407849 -0.864492
H -1.396001 -0.590052 1.430428
H -0.542752 -0.506303 -1.520579
H -3.069035 -0.129501 -2.214978
H -4.300841 -1.168460 -1.454865
H -3.963795 1.981272 -1.495554
H -1.569611 3.004112 0.932586
H -2.351317 1.916622 2.101697
H 0.201731 1.268789 1.762233
H -2.550722 -2.386545 -0.149856
H -2.130559 -2.372854 -1.869128
H -4.466838 2.729673 1.421139
H -3.721437 3.725849 0.142795
H -5.128957 -0.547937 0.928214
H -3.545163 -1.229781 1.406434
H -4.052574 0.368659 2.008179
H 0.730092 -0.924387 2.543834
H 2.225278 -0.332771 1.808651
H 0.434972 1.871163 -0.758712
H 1.536235 0.482556 -0.897462
H -6.175961 2.231610 -0.685494
H -0.383301 -3.492215 -1.895811
H 1.912747 2.898972 1.004559
H 3.024096 1.527907 0.902204
H 3.024749 -2.662674 1.652351
H 1.425441 -5.149020 -1.520760
H 2.350997 3.406914 -1.469762
H 3.483680 2.057052 -1.537059
H 3.361116 -5.673900 -0.217289
H 5.560488 4.882394 -1.157709


