%chk=000180388.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180388

0 1
O 0.331439 1.185279 -0.497315
O -2.592511 0.458516 1.035844
C 6.435328 -0.666427 0.264547
C 5.970855 0.707606 -0.274031
C 7.925268 -0.618744 0.667323
C 6.141073 -1.780316 -0.760551
C 4.473471 0.836125 -0.293523
C 8.880111 -0.272610 -0.472127
C 6.296029 -3.179507 -0.169597
C 3.767123 1.054970 0.896010
C 3.766310 0.739775 -1.507835
C 2.373181 1.179995 0.896170
C 2.381857 0.860293 -1.536816
C 1.697898 1.080220 -0.324091
C -7.983777 -1.173309 0.329021
C -6.548111 -0.707892 0.471880
C -8.949454 0.016624 0.409011
C -8.171513 -1.955844 -0.977537
C -0.490682 1.404741 0.685837
C -5.771999 -1.165413 1.553816
C -5.976259 0.170727 -0.455688
C -3.905054 0.129710 0.760216
C -1.909304 1.363912 0.120505
C -4.452699 -0.755832 1.710066
C -4.650817 0.600953 -0.324665
H 5.849121 -0.888763 1.192369
H 6.392448 0.872937 -1.285308
H 6.404847 1.515000 0.351066
H 8.207343 -1.603217 1.093101
H 8.055075 0.110162 1.491122
H 5.107084 -1.658436 -1.142897
H 6.804185 -1.668329 -1.639801
H 8.714272 0.742323 -0.848891
H 9.923651 -0.334428 -0.144060
H 8.759553 -0.960983 -1.317664
H 5.627974 -3.332687 0.685575
H 7.320492 -3.362043 0.174742
H 6.057422 -3.948919 -0.912394
H 4.305815 1.129485 1.840465
H 4.308926 0.568288 -2.437457
H 1.848055 1.346682 1.829761
H 1.819715 0.787335 -2.464401
H -8.224980 -1.865283 1.178077
H -8.817709 0.707595 -0.430299
H -8.793307 0.589780 1.330074
H -9.991873 -0.318180 0.396573
H -8.016453 -1.324402 -1.858733
H -9.181298 -2.373260 -1.047536
H -7.460568 -2.787458 -1.044476
H -6.207051 -1.850975 2.281452
H -6.568293 0.529846 -1.297646
H -0.224115 2.378866 1.126242
H -0.325025 0.585013 1.413188
H -1.921136 0.939097 -0.903122
H -2.417379 2.341243 0.144795
H -3.839770 -1.101290 2.538526
H -4.230284 1.279649 -1.057612


%chk=000180388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180388

0 1
O 0.348936 0.397071 -0.675906
O -2.807946 -0.176579 1.058259
C 6.796385 -0.503564 0.298541
C 6.074200 0.849973 -0.005291
C 8.248469 -0.259557 0.803146
C 6.711444 -1.464314 -0.917201
C 4.564343 0.728701 -0.161104
C 9.216529 0.355829 -0.233900
C 7.294331 -2.870963 -0.658854
C 3.737604 0.469837 0.960220
C 3.932809 0.864076 -1.426460
C 2.335012 0.347510 0.840960
C 2.536494 0.747037 -1.570108
C 1.733833 0.488967 -0.433833
C -8.558430 -0.483643 0.454919
C -7.034017 -0.402223 0.575850
C -9.176069 0.893189 0.089383
C -9.003999 -1.571631 -0.557878
C -0.521821 0.131275 0.474594
C -6.391876 -0.609242 1.825318
C -6.214783 -0.109902 -0.542528
C -4.196226 -0.236562 0.826369
C -1.941296 0.113775 -0.089499
C -4.991840 -0.528792 1.958794
C -4.808478 -0.026217 -0.433508
H 6.244865 -0.984812 1.136647
H 6.505269 1.290783 -0.925117
H 6.305681 1.552337 0.821584
H 8.671793 -1.216950 1.165625
H 8.199470 0.407390 1.688746
H 5.647018 -1.561235 -1.207487
H 7.225139 -1.003633 -1.786075
H 8.859132 1.337440 -0.595096
H 10.216941 0.510093 0.210711
H 9.341637 -0.302208 -1.113141
H 6.819046 -3.340652 0.223495
H 8.383828 -2.836916 -0.475409
H 7.122966 -3.535421 -1.525791
H 4.194404 0.368903 1.952894
H 4.545526 1.067769 -2.313056
H 1.733278 0.151873 1.733767
H 2.051073 0.854859 -2.545097
H -8.954233 -0.772260 1.450047
H -8.828422 1.231511 -0.904749
H -8.892308 1.666070 0.826134
H -10.280022 0.830218 0.057946
H -8.653313 -1.332077 -1.579264
H -10.107163 -1.645381 -0.590282
H -8.596712 -2.561764 -0.285147
H -6.999547 -0.837573 2.709726
H -6.673833 0.056833 -1.524617
H -0.420542 0.927462 1.238339
H -0.276751 -0.845803 0.935918
H -2.039618 -0.670662 -0.865734
H -2.192172 1.096876 -0.534513
H -4.499184 -0.688650 2.922963
H -4.212354 0.199731 -1.322949


