%chk=000185245.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185245

0 1
O 0.118890 -0.729261 0.224512
O -0.713795 0.163799 -1.670746
O 4.087749 -2.277008 1.576698
C -2.105015 0.076461 0.374271
C -3.273725 0.786253 -0.417367
C -2.743844 -1.287059 0.802392
C -4.437346 -0.242064 -0.307358
C -4.207512 -0.854679 1.104818
C -2.948129 -2.169340 -0.461904
C -4.088826 -1.445997 -1.228815
C -1.744438 0.999373 1.556823
C -3.537654 2.126870 0.286219
C -2.347071 2.375759 1.229990
C -0.887079 -0.123513 -0.509099
C 1.385590 -1.012522 -0.439522
C 1.993819 -2.181956 0.346706
C 2.345133 0.161537 -0.232019
C 3.415820 -0.206481 0.503221
C 3.304486 -1.642656 0.918673
C 2.044424 1.479848 -0.818715
C 4.589396 0.611006 0.913795
C 5.396387 1.069649 -0.268553
C 5.855654 2.311054 -0.409820
H -2.993106 0.956558 -1.477884
H -2.202395 -1.785130 1.614494
H -5.429368 0.185540 -0.487000
H -4.300595 -0.129574 1.922097
H -4.873020 -1.695144 1.334575
H -3.241657 -3.191410 -0.176068
H -2.037828 -2.269535 -1.069303
H -3.769093 -1.122556 -2.230615
H -4.959878 -2.102324 -1.369873
H -0.654380 1.054800 1.723995
H -2.167161 0.603366 2.498306
H -4.483264 2.100169 0.856044
H -3.645461 2.945084 -0.445072
H -1.595506 3.019716 0.738970
H -2.659949 2.905901 2.144135
H 1.194590 -1.225844 -1.511813
H 2.162360 -3.079073 -0.271743
H 1.318018 -2.507449 1.164980
H 2.949972 1.966535 -1.217300
H 1.626820 2.163342 -0.061870
H 1.306329 1.420993 -1.637924
H 4.247442 1.470704 1.530921
H 5.252043 0.011917 1.586890
H 5.594451 0.293117 -1.010380
H 6.453188 2.626985 -1.252518
H 5.681830 3.104840 0.301056


%chk=000185245-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185245

0 1
O 0.094518 -0.565565 0.353452
O -0.800708 0.200200 -1.657512
O 4.316215 -2.479363 1.162905
C -2.214407 0.130167 0.396006
C -3.409909 0.759964 -0.435835
C -2.796334 -1.264125 0.851188
C -4.509158 -0.342738 -0.353828
C -4.294360 -0.908706 1.081105
C -2.910762 -2.208551 -0.384354
C -4.064442 -1.553695 -1.232832
C -1.954265 1.129826 1.575565
C -3.752870 2.108257 0.261992
C -2.471776 2.490821 1.047953
C -0.947435 -0.046299 -0.436534
C 1.395769 -0.863344 -0.336430
C 2.008743 -2.135865 0.271063
C 2.406891 0.250554 -0.070618
C 3.559930 -0.245711 0.490400
C 3.424747 -1.714394 0.703903
C 2.087959 1.671704 -0.431365
C 4.831552 0.489408 0.862174
C 5.643158 0.915116 -0.352967
C 6.073262 2.177949 -0.598839
H -3.101863 0.936474 -1.481284
H -2.247182 -1.696376 1.702950
H -5.521531 0.030791 -0.582747
H -4.467267 -0.168911 1.881687
H -4.909207 -1.802564 1.291674
H -3.186511 -3.225252 -0.050358
H -1.966799 -2.296972 -0.950436
H -3.715193 -1.227704 -2.228518
H -4.900505 -2.260707 -1.382884
H -0.896673 1.144211 1.887054
H -2.550475 0.817778 2.453882
H -4.595596 1.972410 0.968685
H -4.055027 2.884607 -0.463020
H -1.728037 2.943841 0.362905
H -2.663952 3.217210 1.858236
H 1.172991 -0.938837 -1.417697
H 2.050025 -2.988240 -0.427539
H 1.430178 -2.456319 1.155381
H 2.978690 2.317887 -0.389870
H 1.323854 2.082294 0.258889
H 1.647816 1.726537 -1.444367
H 4.607918 1.375084 1.485901
H 5.439797 -0.205985 1.475215
H 5.893778 0.109864 -1.059436
H 6.671628 2.417084 -1.484924
H 5.850119 3.006783 0.085328


