%chk=000181856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181856

0 1
O 3.952400 -0.764038 -1.213156
O 3.330911 1.140102 -0.013337
O 7.534525 0.858068 0.062266
O 6.842677 -1.834315 0.676985
O 5.780009 1.749596 -2.263786
O 4.073179 -2.929699 1.708903
O -0.905450 -0.589074 -1.385777
O -2.791063 1.428724 1.672265
O -8.477775 -0.934661 0.195728
C 6.478015 0.130536 -0.575331
C 5.834096 -0.845457 0.429133
C 5.458642 1.217356 -0.974246
C 4.601665 -1.542253 -0.183595
C 4.041174 0.637434 -1.181050
C 3.544463 -1.887103 0.880543
C 1.967830 1.010961 0.079668
C -3.018259 0.387231 -0.503850
C -0.789444 0.937358 0.512294
C -0.191912 0.199201 -0.529620
C -2.297650 -0.858508 -1.028131
C -2.249871 0.961232 0.696260
C 1.192319 0.223679 -0.769867
C 1.416698 1.737207 1.162893
C -4.460886 0.042918 -0.242957
C 0.047434 1.690956 1.364042
C -5.386127 0.158759 -1.300481
C -4.898551 -0.405564 1.009045
C -6.720183 -0.178014 -1.116780
C -6.237476 -0.749710 1.220459
C -7.135244 -0.632535 0.153773
C -9.033318 -1.373169 1.459181
H 6.891473 -0.403418 -1.461454
H 5.596096 -0.327671 1.387882
H 5.454883 2.045862 -0.220960
H 4.916239 -2.450994 -0.754310
H 3.552702 0.955594 -2.130149
H 2.587049 -2.183902 0.417566
H 3.357052 -1.051862 1.584319
H 8.174717 0.220950 0.465781
H 6.533345 -2.437368 1.400248
H 6.659250 2.197909 -2.224510
H -2.973277 1.195353 -1.288193
H -2.281423 -1.679775 -0.289683
H -2.705967 -1.215058 -1.992101
H 1.617807 -0.369948 -1.576838
H 2.071973 2.322384 1.803350
H 3.931882 -3.804442 1.290918
H -0.415246 2.248156 2.187138
H -5.056164 0.518674 -2.275364
H -4.196005 -0.470210 1.843766
H -7.448949 -0.094683 -1.919721
H -6.557427 -1.088173 2.200145
H -8.918824 -0.592304 2.216704
H -8.573259 -2.315322 1.769752
H -10.090552 -1.517468 1.200440


%chk=000181856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181856

0 1
O 3.967854 -0.896811 -1.137077
O 3.359392 1.104275 0.080056
O 7.711356 0.771655 -0.245299
O 6.992918 -1.645158 0.966636
O 5.739151 1.660376 -2.411669
O 4.629274 -2.947944 1.962108
O -0.988222 -0.382195 -1.540194
O -2.894916 1.724746 1.578990
O -8.642010 -0.932553 0.225042
C 6.503192 0.063896 -0.665883
C 5.916878 -0.784627 0.465866
C 5.476767 1.129632 -1.073493
C 4.753509 -1.630083 -0.102296
C 4.043777 0.549650 -1.111634
C 3.820831 -2.135985 1.013777
C 1.956566 1.029369 0.148485
C -3.129315 0.552682 -0.584827
C -0.860305 1.041349 0.479382
C -0.246541 0.339215 -0.601212
C -2.381091 -0.690217 -1.125017
C -2.334315 1.143193 0.604402
C 1.154885 0.328758 -0.777500
C 1.377577 1.718008 1.252622
C -4.581268 0.197774 -0.300906
C -0.011968 1.716971 1.403364
C -5.577694 0.451672 -1.280154
C -4.969595 -0.455160 0.892820
C -6.915234 0.066163 -1.080482
C -6.307907 -0.848790 1.113364
C -7.284905 -0.589407 0.120305
C -9.080617 -1.586955 1.459869
H 6.725201 -0.592162 -1.534503
H 5.549557 -0.122371 1.278739
H 5.512008 1.935698 -0.313282
H 5.189834 -2.488176 -0.649358
H 3.532430 0.875568 -2.033473
H 2.979353 -2.719020 0.595741
H 3.422026 -1.295845 1.604310
H 8.278327 0.115771 0.239412
H 6.582815 -2.217955 1.672750
H 6.662406 2.020574 -2.419386
H -3.096139 1.326735 -1.381814
H -2.344348 -1.484298 -0.351456
H -2.862465 -1.085170 -2.032256
H 1.577722 -0.259198 -1.594369
H 2.033621 2.250138 1.946528
H 4.614131 -3.896579 1.681908
H -0.492046 2.256754 2.226167
H -5.304329 0.965643 -2.210322
H -4.230469 -0.633348 1.681037
H -7.686959 0.265490 -1.829961
H -6.574702 -1.340360 2.053660
H -8.908390 -0.939686 2.341779
H -8.567772 -2.557708 1.606702
H -10.159634 -1.754493 1.328203


