%chk=000184922.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184922

0 1
O -0.107529 0.571044 -0.267333
O 5.348917 -1.591212 -1.167549
O 6.161228 0.481234 -0.341859
O -4.465594 -1.444131 0.907613
O 4.203037 2.563276 0.876677
O -5.604396 0.793997 0.326239
O -3.982426 3.015554 -0.662760
O -1.872079 -3.058638 0.281682
C 2.081416 -0.239184 -0.082773
C -2.175467 -0.689002 0.222487
C 0.643221 -0.573136 -0.008440
C -1.493204 0.499484 -0.146777
C 4.294578 -0.840832 -0.675571
C 4.777223 0.401150 -0.180983
C 2.962694 -1.197206 -0.645605
C -3.573546 -0.554204 0.421998
C 2.524274 0.989049 0.403631
C -1.397068 -1.936990 0.267907
C 0.068792 -1.756839 0.252043
C 3.902182 1.334215 0.363394
C -2.101093 1.711204 -0.432781
C -4.242526 0.664319 0.090968
C -3.508590 1.785589 -0.340441
C 6.556370 -0.780447 -0.974199
C -4.059724 -2.657506 1.597418
C 5.607212 2.945321 0.839884
C -6.431778 -0.028009 -0.546328
C -5.412456 3.270430 -0.566000
H 2.608710 -2.147934 -1.035502
H 1.820427 1.715521 0.818605
H 0.650539 -2.658780 0.449618
H -1.522416 2.586456 -0.722776
H 6.965965 -0.548452 -1.966184
H 7.212000 -1.317896 -0.276467
H -4.973750 -2.900021 2.152692
H -3.216773 -2.472450 2.266234
H -3.812249 -3.425985 0.849544
H 5.956893 2.983986 -0.197100
H 6.202865 2.239808 1.428664
H 5.581915 3.940264 1.299001
H -6.222917 0.191429 -1.594415
H -7.441071 0.279633 -0.255916
H -6.262119 -1.087272 -0.319128
H -5.777914 3.014795 0.436476
H -5.938915 2.694815 -1.331498
H -5.455155 4.348655 -0.758093


%chk=000184922-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184922

0 1
O -0.086882 0.612467 0.123410
O 5.527368 -1.871827 -0.088465
O 6.307249 0.384852 -0.036010
O -4.456966 -1.779687 0.223232
O 4.251655 2.788732 0.037736
O -5.696235 0.642795 0.378199
O -4.079647 3.090240 0.281122
O -1.870675 -3.135419 -0.296870
C 2.135861 -0.259065 -0.036578
C -2.179654 -0.733281 0.104775
C 0.687180 -0.544509 -0.025017
C -1.494356 0.521802 0.151782
C 4.421621 -0.980308 -0.100019
C 4.882082 0.356630 -0.070988
C 3.078584 -1.334687 -0.080640
C -3.612779 -0.668224 0.186841
C 2.586252 1.083413 -0.004489
C -1.376650 -1.966161 -0.117547
C 0.075110 -1.770000 -0.154525
C 3.965748 1.425257 -0.014532
C -2.145574 1.757954 0.209930
C -4.300508 0.581010 0.206519
C -3.555825 1.803585 0.208241
C 6.711950 -1.018381 -0.326493
C -4.263150 -2.794851 1.286640
C 5.658953 3.225437 -0.035889
C -6.524475 0.039110 -0.691201
C -5.471595 3.390969 -0.105406
H 2.777490 -2.383262 -0.088213
H 1.863680 1.901168 0.025801
H 0.668700 -2.672458 -0.310652
H -1.575037 2.688292 0.230798
H 7.008701 -1.092173 -1.390906
H 7.512855 -1.307717 0.369227
H -5.217182 -3.343341 1.321863
H -4.076437 -2.297353 2.256299
H -3.430898 -3.459843 1.007235
H 6.118882 2.916794 -0.991096
H 6.246377 2.817704 0.804442
H 5.611173 4.322346 0.027003
H -6.361916 0.571910 -1.649506
H -7.565113 0.172309 -0.357996
H -6.284081 -1.029867 -0.802732
H -6.183286 2.992526 0.632710
H -5.702276 2.979126 -1.105252
H -5.506569 4.491089 -0.136487


