%chk=000185161.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185161

0 1
O -0.991724 -0.925736 1.376937
O 0.649225 2.182275 -0.523952
O 1.672236 -1.917431 1.891802
O 4.571373 -0.091569 -1.435058
O -4.810902 -1.860201 -1.459200
C -1.126259 1.496719 1.131291
C -0.198648 0.332823 1.597810
C -2.177633 0.780564 0.328772
C -0.379586 2.611131 0.408204
C 1.060423 0.188503 0.829139
C -2.035639 -0.619503 0.535066
C 1.421970 1.109146 -0.180604
C -3.198628 1.248239 -0.482893
C 1.932679 -0.909294 1.010481
C -2.879265 -1.567432 -0.022911
C 2.597698 0.999129 -0.927925
C -4.076329 0.329745 -1.076791
C 3.136292 -1.054366 0.308743
C -3.903193 -1.042844 -0.839075
C 3.446690 -0.089224 -0.659341
C 5.528581 -1.167328 -1.250801
H -1.621155 1.952714 2.029674
H -0.045948 0.315820 2.695990
H -1.040729 3.194281 -0.263144
H 0.132147 3.285229 1.121561
H -3.328922 2.314550 -0.663324
H -2.747306 -2.626513 0.151155
H 2.847141 1.727327 -1.694314
H -4.885975 0.661262 -1.721503
H 3.768481 -1.909339 0.515830
H 0.723465 -1.922437 2.205594
H -4.642426 -2.818328 -1.274689
H 5.065757 -2.129165 -1.490739
H 5.927813 -1.147969 -0.232571
H 6.301196 -0.904979 -1.985311


%chk=000185161-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185161

0 1
O -1.038647 -0.848694 1.657246
O 0.563601 2.330630 -0.455085
O 1.510639 -1.877021 1.909488
O 4.496213 -0.120489 -1.541135
O -4.601542 -2.040846 -1.569992
C -1.149479 1.558362 1.230341
C -0.192726 0.441246 1.730533
C -2.096860 0.771672 0.327345
C -0.374767 2.730683 0.606887
C 1.020492 0.276061 0.849591
C -2.003327 -0.599103 0.651926
C 1.366686 1.211463 -0.164477
C -3.031962 1.181312 -0.638717
C 1.854224 -0.865772 0.999321
C -2.805936 -1.587394 0.067042
C 2.523540 1.058646 -0.947450
C -3.857597 0.217671 -1.263948
C 3.030655 -1.041139 0.244277
C -3.742633 -1.147618 -0.906289
C 3.358455 -0.061708 -0.725593
C 5.400883 -1.259528 -1.363765
H -1.719423 1.970544 2.089207
H 0.062271 0.512114 2.801124
H -1.057255 3.446309 0.120218
H 0.197057 3.261474 1.396213
H -3.126801 2.236036 -0.919249
H -2.702004 -2.642377 0.343053
H 2.778997 1.795228 -1.711524
H -4.588234 0.498516 -2.026821
H 3.626129 -1.941414 0.407223
H 0.519387 -1.867126 2.041709
H -4.444193 -2.971771 -1.275057
H 4.892386 -2.215652 -1.593880
H 5.807423 -1.293629 -0.334652
H 6.217248 -1.090888 -2.081208


