%chk=000196322.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196322

0 1
O 0.512193 1.001828 -0.568060
O 2.148547 0.220097 0.881926
O -3.124524 -0.867575 -0.712853
O -1.987819 1.827823 -1.079154
O 4.406177 1.785087 -2.211750
O 4.959353 0.318195 -0.093703
O -1.910656 -2.549116 0.291966
O -4.594871 1.486000 1.547665
O 2.521994 -2.835577 1.124394
O 1.826808 3.348210 1.609267
O 0.216196 1.928056 2.254925
O -3.116064 -3.610555 -1.747269
O -6.541551 0.108321 0.904058
O 2.671006 -1.115514 3.140113
O -2.007424 -2.358053 -3.253321
C -0.529691 0.165011 0.008594
C 1.602328 1.374903 0.259507
C -1.804130 1.039595 0.087960
C -3.027282 0.131481 0.344245
C 2.567295 2.126079 -0.650023
C -0.653377 -1.001422 -0.975337
C 2.815288 -0.737532 0.007072
C 3.245242 1.167358 -1.631552
C 3.849989 -0.064823 -0.913463
C -1.988909 -1.723536 -0.839626
C -4.358612 0.915640 0.263527
C 3.459433 -1.775526 0.962224
C 1.106276 2.195569 1.487493
C -2.341952 -2.546196 -2.114327
C -5.559830 0.027731 -0.134787
C 3.850591 -1.187120 2.330193
H -0.228076 -0.187452 1.023992
H -1.711492 1.814342 0.894465
H -2.932490 -0.406233 1.314853
H 3.340101 2.632021 -0.021650
H 2.026318 2.935027 -1.183684
H 0.182736 -1.721689 -0.804511
H -0.519071 -0.631427 -2.018314
H 2.007403 -1.222009 -0.596783
H 2.553071 0.865153 -2.449541
H 4.235337 -0.793001 -1.668985
H -4.246806 1.809224 -0.399690
H 4.331932 -2.256121 0.457759
H -2.027976 1.255378 -1.880344
H -5.996557 0.328888 -1.100523
H -5.311447 -1.052115 -0.169759
H 4.507938 -1.872682 2.896628
H 4.324092 -0.193326 2.223970
H 4.180621 2.640004 -2.630550
H 5.507686 0.991289 -0.577855
H -2.739259 -3.082878 0.418528
H -5.026995 0.819352 2.149834
H 1.971749 -2.674923 1.945516
H 1.531587 3.906397 2.387010
H -3.370843 -4.194999 -2.516061
H -6.912824 1.021567 0.946692
H 2.104143 -0.360426 2.840700


%chk=000196322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196322

0 1
O 0.569803 1.147978 -0.493523
O 2.242671 0.040430 0.835620
O -3.140525 -0.914667 -0.663474
O -2.033568 1.444153 -1.782566
O 4.512220 2.386197 -1.827528
O 5.115081 0.471473 0.000955
O -1.873372 -2.214121 0.924986
O -4.390874 2.158837 0.948314
O 2.272561 -2.921173 0.374177
O 0.489047 3.083536 1.654315
O 1.244715 1.311228 2.952145
O -2.855157 -3.965551 -0.794019
O -6.851901 0.992474 0.375971
O 2.945151 -1.818368 2.732118
O -1.873910 -2.935445 -2.638145
C -0.604019 0.358187 -0.037400
C 1.642008 1.310575 0.480992
C -1.884043 1.164623 -0.351014
C -3.084546 0.335105 0.156240
C 2.668924 2.266984 -0.161349
C -0.623084 -1.012517 -0.746272
C 2.938927 -0.656616 -0.277844
C 3.372210 1.579723 -1.349861
C 4.007649 0.235857 -0.926659
C -1.931909 -1.764670 -0.439263
C -4.429484 1.046584 -0.011706
C 3.416069 -1.999107 0.311681
C 1.122766 1.856852 1.838277
C -2.187343 -2.919193 -1.436074
C -5.638015 0.145754 0.298481
C 4.030522 -1.879069 1.734192
H -0.544599 0.197906 1.057906
H -1.858703 2.149917 0.140184
H -2.951436 0.067477 1.221950
H 3.430884 2.523565 0.596526
H 2.145504 3.184881 -0.478907
H 0.219477 -1.641460 -0.409932
H -0.538873 -0.867101 -1.837277
H 2.193974 -0.888603 -1.064934
H 2.645739 1.403545 -2.166687
H 4.378922 -0.277452 -1.840248
H -4.513360 1.445078 -1.046661
H 4.152608 -2.440402 -0.384558
H -2.330971 0.601703 -2.219807
H -5.743954 -0.659689 -0.450526
H -5.544672 -0.293740 1.305539
H 4.584417 -2.800406 1.974941
H 4.699398 -1.004185 1.792402
H 4.201412 3.283728 -2.103410
H 5.650504 1.211654 -0.392076
H -2.556006 -2.923205 1.060387
H -5.338985 2.426220 1.094239
H 1.965215 -2.868144 1.328161
H 0.155846 3.425564 2.528479
H -3.042240 -4.707566 -1.428317
H -7.160947 1.206075 -0.540839
H 2.505172 -0.927615 2.643297


