%chk=000185239.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185239

0 1
O -0.480457 2.198817 -0.813765
O -1.445890 2.989449 1.069130
O 3.273902 -0.749574 0.691838
C -2.232284 0.856708 0.067003
C -4.314685 -0.340444 0.808510
C -2.173426 -1.629011 0.458211
C -3.419036 -0.687765 -1.524174
C -3.512828 0.974260 0.923898
C -1.366010 -0.319639 0.581382
C -2.614162 0.624918 -1.411832
C -3.454307 -1.519390 1.313862
C -4.699622 -0.580769 -0.667768
C -2.556188 -1.864362 -1.018865
C -1.401660 2.133575 0.220223
C 0.575052 3.193836 -0.732099
C 1.856591 2.528412 -0.304355
C 1.898977 1.151726 -0.057469
C 3.012508 3.310842 -0.161892
C 3.114691 0.587095 0.336352
C 4.215797 2.715071 0.234322
C 4.287081 1.345281 0.486917
C 2.354963 -1.702433 0.238745
C 1.924315 -1.765883 -1.091176
C 1.988038 -2.654509 1.200056
C 1.092224 -2.825641 -1.461376
C 1.159910 -3.704884 0.800869
C 0.708261 -3.789413 -0.522147
H -5.236991 -0.261258 1.426223
H -1.549178 -2.477493 0.820153
H -3.695571 -0.858382 -2.588385
H -4.124637 1.831640 0.591317
H -3.252654 1.181996 1.978669
H -1.070295 -0.152849 1.633318
H -0.421639 -0.384432 -0.001039
H -1.702062 0.577143 -2.037217
H -3.205037 1.474454 -1.796260
H -3.193722 -1.374320 2.376773
H -4.029236 -2.460081 1.263084
H -5.299095 -1.502869 -0.760416
H -5.338843 0.240535 -1.035345
H -1.645387 -1.965314 -1.635238
H -3.107945 -2.814390 -1.122922
H 0.274191 4.005416 -0.036479
H 0.631592 3.578358 -1.768722
H 0.992207 0.546414 -0.165131
H 2.978897 4.380745 -0.351313
H 5.110268 3.329117 0.346321
H 5.211059 0.864203 0.797444
H 2.240180 -1.017930 -1.815497
H 2.353594 -2.566514 2.220943
H 0.746310 -2.902146 -2.492240
H 0.862789 -4.462117 1.526446
H 0.060651 -4.610698 -0.821684


%chk=000185239-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185239

0 1
O -0.383072 1.957743 -0.059458
O -1.880562 2.888214 1.461239
O 4.025055 -0.719382 0.344793
C -2.527879 0.863998 0.164353
C -4.821751 -0.193677 0.434388
C -2.789467 -1.671936 0.099157
C -3.663153 -0.260925 -1.819904
C -3.904678 0.977264 0.876839
C -1.865358 -0.505804 0.538777
C -2.740614 0.908716 -1.385205
C -4.160904 -1.547028 0.815440
C -5.034861 -0.136952 -1.102712
C -2.999865 -1.612801 -1.438177
C -1.617544 2.007663 0.609401
C 0.632115 2.979650 0.327941
C 2.002911 2.432702 -0.005731
C 2.321720 1.088526 0.301928
C 2.985247 3.272434 -0.584111
C 3.612271 0.596037 0.014783
C 4.283349 2.771638 -0.838265
C 4.605636 1.430272 -0.545779
C 3.102725 -1.798656 0.345392
C 2.087515 -1.938395 -0.630416
C 3.315503 -2.794349 1.323551
C 1.268194 -3.089024 -0.605437
C 2.492324 -3.941818 1.331624
C 1.462878 -4.092544 0.372656
H -5.798396 -0.099928 0.948676
H -2.306744 -2.630712 0.374561
H -3.808627 -0.214023 -2.917316
H -4.373050 1.949518 0.631493
H -3.759341 0.963230 1.973527
H -1.696765 -0.550145 1.633457
H -0.879425 -0.590854 0.045324
H -1.761877 0.843234 -1.895125
H -3.198854 1.877509 -1.668742
H -4.023169 -1.606225 1.913811
H -4.820598 -2.388084 0.521736
H -5.706433 -0.957982 -1.424548
H -5.525176 0.816931 -1.383256
H -2.026114 -1.717516 -1.959159
H -3.641414 -2.454968 -1.766017
H 0.508577 3.187666 1.407963
H 0.420493 3.911682 -0.225966
H 1.562577 0.439600 0.747928
H 2.739911 4.310911 -0.834842
H 5.043509 3.424761 -1.280031
H 5.599208 1.018183 -0.744265
H 1.946424 -1.170139 -1.396995
H 4.117022 -2.656612 2.055416
H 0.481900 -3.203496 -1.360678
H 2.654694 -4.715904 2.089669
H 0.825131 -4.982701 0.383513


