%chk=000252357.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252357

0 1
O 6.746592 1.354322 -0.412870
O -6.746962 1.355263 0.404065
O 8.324328 -0.520000 0.623157
O -8.324046 -0.525395 -0.621066
O 8.660479 -1.337180 -1.462937
O -8.661493 -1.330321 1.469579
C 0.409375 0.354516 0.532181
C -0.409425 0.351809 -0.534694
C -0.077955 0.367852 1.959355
C 0.077913 0.358189 -1.961915
C 1.886771 0.349841 0.390696
C -1.886821 0.347487 -0.393212
C 2.578451 -0.865275 0.257312
C -2.578169 -0.867103 -0.253429
C 2.596942 1.560536 0.403224
C -2.597328 1.557897 -0.412162
C -0.093692 -1.037285 2.558633
C 0.094703 -1.050007 -2.553946
C 4.681423 0.337665 0.162481
C -4.681486 0.335732 -0.165010
C 3.969125 -0.870091 0.144958
C -3.968843 -0.871715 -0.141092
C 3.986394 1.552633 0.282046
C -3.986782 1.550241 -0.290989
C 6.167144 0.392551 0.033289
C -6.167221 0.390935 -0.036171
C 6.920509 -0.838864 0.533850
C -6.920285 -0.843766 -0.529036
C 9.101431 -0.747204 -0.507568
C -9.101845 -0.745939 0.510499
C 10.455674 -0.189048 -0.262218
C -10.455895 -0.189128 0.261085
H -1.094462 0.811842 2.019975
H 0.569193 1.031448 2.570963
H -0.569707 1.018140 -2.576953
H 1.094092 0.802619 -2.024788
H 2.023714 -1.802403 0.238956
H -2.023167 -1.803964 -0.230107
H 2.061857 2.504188 0.501587
H -2.062508 2.501168 -0.515498
H 0.907576 -1.483894 2.566136
H -0.454460 -1.018958 3.593849
H -0.752545 -1.706219 1.992548
H 0.754374 -1.715413 -1.984661
H -0.906163 -1.497553 -2.558768
H 0.455074 -1.036696 -3.589376
H 4.490853 -1.820276 0.030594
H -4.490289 -1.821440 -0.021745
H 4.546692 2.492373 0.273642
H -4.547353 2.489855 -0.287593
H 6.656961 -1.095205 1.577138
H 6.766154 -1.711528 -0.132704
H -6.766244 -1.711993 0.143383
H -6.656260 -1.107023 -1.570465
H 10.634878 0.032237 0.802697
H 10.579938 0.760869 -0.811810
H 11.239495 -0.877581 -0.612691
H -10.635891 0.022191 -0.805711
H -10.578896 0.766131 0.801654
H -11.239911 -0.873665 0.618855


%chk=000252357-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252357

0 1
O 6.905998 0.998590 1.154058
O -6.906048 0.991249 -1.159939
O 8.402280 -1.032086 0.135598
O -8.402117 -1.034577 -0.131451
O 8.593985 0.444034 -1.662106
O -8.594170 0.451665 1.657853
C 0.380857 0.277961 0.574985
C -0.380831 0.274266 -0.576968
C -0.217262 0.382733 1.979205
C 0.217319 0.370294 -1.981798
C 1.879295 0.234302 0.540424
C -1.879300 0.230512 -0.542228
C 2.571138 -0.820614 -0.119261
C -2.571053 -0.821365 0.122382
C 2.657954 1.216757 1.218672
C -2.658024 1.209632 -1.225185
C 0.039121 -0.866781 2.861914
C -0.038818 -0.884797 -2.856644
C 4.744977 0.103402 0.554192
C -4.744963 0.099341 -0.555401
C 3.977306 -0.888640 -0.114272
C -3.977224 -0.889519 0.117691
C 4.061355 1.159440 1.217231
C -4.061423 1.152250 -1.223471
C 6.240424 0.088176 0.588747
C -6.240418 0.083901 -0.589797
C 6.958644 -1.088262 -0.105571
C -6.958513 -1.089207 0.110240
C 9.116338 -0.133807 -0.685983
C -9.116467 -0.132042 0.685198
C 10.539549 -0.007040 -0.203140
C -10.539522 -0.007852 0.201224
H -1.300007 0.583474 1.920367
H 0.232906 1.258421 2.489505
H -0.232995 1.242660 -2.497642
H 1.300043 0.571553 -1.924169
H 1.991698 -1.601603 -0.622705
H -1.991583 -1.599992 0.629438
H 2.155320 2.045778 1.728602
H -2.155408 2.036234 -1.739039
H 1.120177 -1.064501 2.973441
H -0.386317 -0.721298 3.871353
H -0.424544 -1.769517 2.423407
H 0.424926 -1.784714 -2.412454
H -1.119842 -1.083338 -2.967017
H 0.386681 -0.745620 -3.866948
H 4.466779 -1.720003 -0.633356
H -4.466652 -1.718520 0.640596
H 4.661164 1.924784 1.721052
H -4.661289 1.915162 -1.730901
H 6.631109 -2.055074 0.310934
H 6.751517 -1.054490 -1.193129
H -6.751574 -1.049942 1.197645
H -6.630665 -2.058002 -0.301384
H 10.918788 -0.974192 0.163161
H 10.563618 0.705051 0.641621
H 11.177729 0.379047 -1.011454
H -10.919178 -0.977304 -0.158529
H -10.563160 0.698438 -0.648403
H -11.177628 0.383992 1.006815


