%chk=000186298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186298

0 1
O 4.734483 1.492451 0.056667
O -3.153759 -3.087302 1.362685
C -0.234395 0.756652 0.016912
C 0.354331 -0.517255 -0.081540
C -1.676646 0.860149 -0.169451
C 1.795950 -0.673539 -0.140782
C 0.626117 1.885712 0.323582
C -2.479629 -0.310789 -0.130938
C -1.839871 -1.606493 -0.058634
C 2.598547 0.478019 0.005194
C -0.479876 -1.690206 -0.091691
C 1.988569 1.740530 0.282963
C -2.328850 2.093521 -0.460369
C 2.426829 -1.935460 -0.359731
C -3.897521 -0.197576 -0.217754
C 0.081582 3.200838 0.784309
C 4.021206 0.325809 -0.090164
C -2.668998 -2.862219 0.028907
C -3.699530 2.181360 -0.571265
C -4.500083 1.024414 -0.417186
C 3.797376 -2.039261 -0.443628
C 4.625192 -0.897376 -0.311262
H 0.016683 -2.665775 -0.092504
H 2.656844 2.582314 0.484165
H -1.725937 2.988985 -0.637340
H 1.803279 -2.823613 -0.464505
H -4.509490 -1.097177 -0.141262
H 0.858083 3.844179 1.221054
H -0.373346 3.768256 -0.044171
H -0.686650 3.062782 1.560671
H -3.543458 -2.836567 -0.651224
H -2.086352 -3.782108 -0.177420
H -4.178234 3.134877 -0.788668
H -5.583770 1.110482 -0.478204
H 4.269508 -3.006999 -0.615194
H 5.701819 -1.000636 -0.383247
H 5.709521 1.339465 -0.014002
H -3.402723 -2.240445 1.787626


%chk=000186298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186298

0 1
O 4.801201 1.522664 0.100868
O -3.297353 -3.111089 1.344399
C -0.240624 0.778794 0.000250
C 0.361709 -0.527967 -0.104732
C -1.706184 0.868460 -0.124572
C 1.811648 -0.700037 -0.155559
C 0.637293 1.920660 0.262206
C -2.511870 -0.338301 -0.129833
C -1.864312 -1.635430 -0.079661
C 2.635630 0.467083 -0.003857
C -0.482168 -1.694164 -0.119139
C 2.019149 1.731773 0.248082
C -2.406724 2.105887 -0.313181
C 2.452409 -1.965607 -0.363166
C -3.939152 -0.244530 -0.219060
C 0.171638 3.320266 0.650529
C 4.063806 0.334948 -0.059713
C -2.680201 -2.910540 0.010679
C -3.802188 2.172128 -0.417881
C -4.584682 0.988548 -0.348199
C 3.846854 -2.061819 -0.417075
C 4.669748 -0.909821 -0.263547
H -0.014668 -2.682472 -0.116039
H 2.678692 2.581028 0.449875
H -1.850325 3.033057 -0.423931
H 1.863006 -2.874874 -0.501266
H -4.539009 -1.161012 -0.234575
H 1.001775 3.853001 1.144576
H -0.123336 3.934228 -0.222157
H -0.679211 3.300526 1.353294
H -3.467617 -2.941952 -0.771293
H -2.031286 -3.790289 -0.122763
H -4.287279 3.142595 -0.569411
H -5.676096 1.039216 -0.425227
H 4.319254 -3.035503 -0.584785
H 5.762314 -1.002598 -0.308142
H 5.772036 1.339091 0.058753
H -3.667075 -2.245947 1.657851


