%chk=000194514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194514

0 1
O -1.509534 -1.382954 0.610665
O -3.436564 -2.170176 -0.221449
C 0.750783 -0.345366 0.668303
C 1.482693 0.828896 -0.113364
C -0.786030 -0.082058 0.608145
C -1.200671 0.495566 -0.777146
C 0.633166 2.111655 -0.210564
C -2.718183 0.182745 -0.760108
C 1.909692 0.305908 -1.517922
C 1.024819 -1.720642 -0.010495
C -0.709925 1.928775 -0.942457
C 3.059127 -0.653985 -1.133706
C 2.879231 1.170291 0.500621
C -1.390837 0.726310 1.771397
C 2.469335 -1.926452 -0.486811
C 1.205473 -0.454702 2.130647
C -3.442669 1.098268 0.245829
C 3.818908 0.140058 -0.078075
C -2.917830 0.886998 1.674395
C -2.678741 -1.244846 -0.145425
C -3.370588 0.180928 -2.129341
C 5.090523 -0.037584 0.266586
H -0.723791 -0.121237 -1.584487
H 1.215269 2.904408 -0.717578
H 0.442764 2.489977 0.815607
H 2.265674 1.125555 -2.161015
H 1.095525 -0.186883 -2.068431
H 0.337301 -1.853572 -0.870316
H 0.738306 -2.530795 0.690131
H -1.450999 2.653260 -0.551633
H -0.597746 2.163844 -2.017496
H 3.698138 -0.912313 -1.999500
H 2.890562 1.183901 1.600262
H 3.202055 2.183592 0.194659
H -0.901501 1.719459 1.816056
H -1.161031 0.219647 2.730411
H 3.106864 -2.248183 0.359137
H 2.494759 -2.760371 -1.212678
H 0.572087 -1.159377 2.685936
H 2.231660 -0.841982 2.193621
H 1.182879 0.505453 2.653916
H -4.533157 0.910657 0.216670
H -3.304948 2.153149 -0.062534
H -3.238519 1.729889 2.315194
H -3.398757 -0.016094 2.107445
H -3.405996 1.189301 -2.557524
H -2.834393 -0.459844 -2.840829
H -4.401447 -0.199186 -2.081073
H 5.729772 -0.781051 -0.181908
H 5.590591 0.544362 1.023533


%chk=000194514-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194514

0 1
O -1.571904 -1.393048 0.651903
O -3.561480 -2.169430 -0.270509
C 0.750742 -0.351002 0.641588
C 1.511874 0.839889 -0.168719
C -0.802789 -0.068588 0.612520
C -1.251796 0.498877 -0.755406
C 0.656955 2.128690 -0.319137
C -2.775497 0.183566 -0.737102
C 2.029266 0.300778 -1.547648
C 1.017370 -1.720451 -0.077706
C -0.735267 1.931259 -0.993510
C 3.152105 -0.672623 -1.101098
C 2.891486 1.210531 0.477034
C -1.386697 0.768336 1.783303
C 2.492170 -1.958359 -0.489926
C 1.238821 -0.492642 2.109093
C -3.502604 1.077353 0.317107
C 3.866925 0.140846 -0.014998
C -2.938167 0.848591 1.742639
C -2.735915 -1.249610 -0.143117
C -3.469450 0.221974 -2.105233
C 5.132534 -0.057415 0.424991
H -0.810041 -0.152674 -1.536287
H 1.244307 2.859867 -0.908891
H 0.530215 2.587878 0.680453
H 2.452780 1.144542 -2.127898
H 1.259892 -0.181022 -2.173300
H 0.383980 -1.791423 -0.980560
H 0.672807 -2.538147 0.579178
H -1.440434 2.689730 -0.605703
H -0.655259 2.106906 -2.082029
H 3.844077 -0.952459 -1.915113
H 2.870295 1.309046 1.574317
H 3.199331 2.200063 0.077811
H -0.954156 1.784045 1.756500
H -1.085264 0.319301 2.744651
H 3.096238 -2.302345 0.369453
H 2.512108 -2.775672 -1.236450
H 0.626689 -1.250947 2.631167
H 2.288396 -0.831109 2.144227
H 1.170450 0.449872 2.681518
H -4.585005 0.850474 0.301561
H -3.390749 2.136347 0.014541
H -3.282320 1.651905 2.420590
H -3.350508 -0.096115 2.143349
H -3.571172 1.263366 -2.462068
H -2.898794 -0.347783 -2.861438
H -4.477018 -0.225263 -2.040094
H 5.774482 -0.836494 -0.003687
H 5.570088 0.553791 1.223436


