%chk=000196128.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196128

0 1
O 1.401179 0.570631 -0.698853
O -0.119135 -1.163447 -0.281205
O -0.887240 0.803177 0.714112
O 3.246314 -2.041297 -0.784656
O 2.345233 -0.664638 2.295240
O -2.025181 -1.899459 2.397035
O -3.368239 0.390190 1.987436
O -3.164728 -0.484713 -1.518860
O -0.207027 -0.872431 -2.791471
O 3.937087 2.534818 0.988147
O -2.011372 3.068229 -1.845488
C 1.180038 -0.831962 -0.783193
C 2.250015 -1.534782 0.099907
C 2.846088 -0.406736 0.978014
C 2.237705 0.912647 0.443242
C -0.652663 -0.591238 0.912913
C -1.988466 -1.369052 1.080662
C -3.203256 -0.443665 0.836705
C -3.035740 0.436032 -0.423187
C -1.641907 1.102291 -0.493911
C 1.072454 -1.222471 -2.272420
C 3.276611 1.897754 -0.108962
C -1.673508 2.635821 -0.525365
H 1.807585 -2.347637 0.718559
H 3.954950 -0.409062 0.981463
H 1.557531 1.381626 1.189121
H 0.052417 -0.634133 1.768886
H -2.007627 -2.264985 0.411963
H -4.152608 -1.027857 0.797567
H -3.855887 1.187864 -0.477753
H -1.061352 0.691659 -1.365304
H 1.250905 -2.306430 -2.401806
H 1.785878 -0.637564 -2.886148
H 2.806564 2.639264 -0.779324
H 4.097732 1.392410 -0.654370
H -0.696660 3.053065 -0.217268
H -2.473715 3.072919 0.100489
H 3.716325 -2.797850 -0.368777
H 2.851788 -0.150642 2.961253
H -2.445697 -1.245169 3.019903
H -2.602017 1.020581 2.060176
H -3.352277 0.006111 -2.350166
H -0.930946 -1.237910 -2.206307
H 3.377978 3.247445 1.361150
H -1.282128 2.860796 -2.471850


%chk=000196128-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196128

0 1
O 1.477527 0.549025 -0.834329
O -0.131691 -1.213848 -0.242342
O -0.871624 0.847875 0.826020
O 3.387492 -1.895800 -0.974141
O 2.293313 -0.734689 2.291232
O -2.183673 -1.744161 2.592923
O -3.405919 0.582313 1.891684
O -2.864898 -0.655812 -1.608756
O -0.219030 -0.853917 -2.871466
O 4.144348 2.301206 1.116738
O -2.406585 3.100179 -1.722674
C 1.191232 -0.878026 -0.832794
C 2.338201 -1.527687 -0.015000
C 2.825280 -0.421315 0.957819
C 2.266618 0.908205 0.372042
C -0.660749 -0.618899 0.970100
C -2.023728 -1.338318 1.199617
C -3.190625 -0.397372 0.795847
C -2.926906 0.356239 -0.525838
C -1.603854 1.172223 -0.435835
C 1.012636 -1.366773 -2.287735
C 3.370101 1.879033 -0.066378
C -1.825064 2.691378 -0.434672
H 1.971300 -2.402275 0.553142
H 3.931222 -0.391212 0.985010
H 1.579816 1.385134 1.100946
H 0.020860 -0.719134 1.832728
H -2.038348 -2.255424 0.591345
H -4.132031 -0.963399 0.733258
H -3.773132 1.044460 -0.710305
H -0.952228 0.898690 -1.287374
H 1.035832 -2.474854 -2.287539
H 1.842234 -0.990522 -2.901361
H 2.937130 2.743040 -0.606768
H 4.089454 1.371457 -0.728514
H -0.865492 3.207487 -0.233078
H -2.568055 3.000022 0.319820
H 4.041988 -2.487512 -0.526078
H 2.676313 -0.099373 2.946747
H -2.684613 -1.006604 3.042942
H -2.555252 1.104592 1.954843
H -3.269566 -0.273484 -2.426154
H -0.986284 -1.083668 -2.269081
H 3.654757 3.021315 1.587521
H -1.735309 2.950402 -2.436811


