%chk=000116724.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116724

0 1
O 1.279279 -0.375551 0.544753
O 4.345407 0.417270 -0.639755
O 1.130068 2.629063 0.350620
O 0.051605 -1.327077 -1.092801
O 5.006456 -1.218280 0.782441
O -0.885945 1.935337 1.130739
C -2.778631 -1.684246 0.480320
C -4.114316 -0.957942 0.683830
C -1.746807 -1.251413 1.528730
C -5.152233 -1.395895 -0.357901
C -0.366038 -1.874707 1.273848
C -6.488231 -0.665606 -0.161546
C 1.962742 0.467644 -0.430140
C 0.277585 -1.219436 0.088434
C -7.525776 -1.097925 -1.195501
C 3.280186 0.822389 0.263002
C 1.077891 1.678638 -0.747414
C 5.142405 -0.656339 -0.275619
C 0.092613 2.628182 1.267415
C 6.113180 -0.912301 -1.372770
C 0.415589 3.607868 2.339398
H -2.930303 -2.779281 0.524076
H -2.387552 -1.477710 -0.538724
H -4.498953 -1.149890 1.703524
H -3.957045 0.137427 0.621182
H -2.089769 -1.537287 2.541708
H -1.659679 -0.139968 1.542740
H -5.309942 -2.489713 -0.299036
H -4.766155 -1.203596 -1.377808
H 0.275111 -1.760840 2.175350
H -0.452022 -2.966141 1.087017
H -6.875108 -0.856087 0.858464
H -6.330558 0.428961 -0.225624
H 2.136834 -0.132649 -1.359018
H -8.474833 -0.570845 -1.048788
H -7.187945 -0.888278 -2.216864
H -7.733102 -2.172207 -1.134055
H 3.376841 0.310816 1.244414
H 3.431264 1.911323 0.379855
H 0.028369 1.375360 -0.941637
H 1.473422 2.266766 -1.596483
H 5.943818 -1.906646 -1.817472
H 7.146764 -0.900123 -0.991275
H 6.042451 -0.168368 -2.182965
H 0.608066 3.089505 3.293064
H -0.428170 4.295907 2.508492
H 1.306166 4.213390 2.106179


%chk=000116724-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116724

0 1
O 1.266101 -0.493718 0.042296
O 4.149415 -0.149577 -0.436694
O 0.728557 2.486810 -0.029550
O 0.310457 -1.626560 -1.759834
O 5.631815 1.037361 0.912514
O -1.393739 1.602224 0.402191
C -2.573471 -1.683372 0.187429
C -3.825535 -1.058162 0.841894
C -1.392985 -1.794368 1.176041
C -5.041686 -0.993712 -0.109081
C -0.099597 -2.406911 0.557200
C -6.293357 -0.365304 0.545047
C 1.871542 0.471270 -0.917356
C 0.484067 -1.523737 -0.524172
C -7.508174 -0.306563 -0.406313
C 3.169376 0.956724 -0.284409
C 0.882958 1.604411 -1.216184
C 5.364539 0.014201 0.243441
C -0.458215 2.368517 0.716385
C 6.248040 -1.199914 0.063970
C -0.406118 3.282608 1.919074
H -2.820712 -2.690616 -0.208720
H -2.276373 -1.066401 -0.682387
H -4.101313 -1.640764 1.746954
H -3.572690 -0.034367 1.184246
H -1.687413 -2.434860 2.031366
H -1.161420 -0.792944 1.584239
H -5.289608 -2.016649 -0.463373
H -4.769114 -0.409211 -1.012395
H 0.655790 -2.546712 1.350526
H -0.331629 -3.386049 0.102778
H -6.560378 -0.946411 1.451830
H -6.044975 0.657879 0.893983
H 2.074200 -0.060679 -1.866898
H -8.389989 0.142911 0.086997
H -7.278673 0.297549 -1.304505
H -7.792070 -1.319718 -0.749070
H 3.040777 1.199398 0.782752
H 3.553736 1.854143 -0.802632
H -0.098822 1.195937 -1.508494
H 1.278039 2.257514 -2.012751
H 6.161165 -1.847094 0.955830
H 7.299605 -0.882591 -0.018225
H 5.950653 -1.783037 -0.820044
H 0.286395 2.864001 2.671407
H -1.408408 3.368652 2.363066
H -0.025767 4.277390 1.636033


