%chk=000251732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251732

0 1
O 6.207025 -0.736685 1.092546
O -4.728822 -0.468398 0.446683
C 3.604928 0.972457 0.090598
C 3.089104 -0.385893 -0.494257
C 1.645489 -0.643404 -0.049400
C 0.761614 0.479358 -0.669947
C 2.762557 2.097078 -0.535437
C 5.096838 0.927499 -0.324547
C 4.190328 -1.392638 -0.132807
C 1.267700 1.876636 -0.241078
C 5.499563 -0.557657 -0.139591
C 1.114998 -2.009330 -0.504541
C 3.528327 1.050465 1.626467
C -0.699966 0.259676 -0.341627
C -0.290367 -2.237477 0.061482
C -1.188189 -1.032363 -0.029836
C -1.604550 1.325643 -0.406667
C -2.548246 -1.223538 0.227963
C -2.969611 1.157918 -0.152098
C -3.424357 -0.125176 0.166660
C -5.737296 0.589143 0.410094
C -7.005439 -0.128270 0.756634
C -8.184989 0.480784 0.834700
H 3.084677 -0.298814 -1.612090
H 1.578292 -0.586929 1.064190
H 0.851424 0.412242 -1.786786
H 2.930715 2.139241 -1.627468
H 3.078538 3.081773 -0.146132
H 5.731531 1.590433 0.283368
H 5.238740 1.246981 -1.368168
H 4.027870 -1.852037 0.856776
H 4.238890 -2.227323 -0.847407
H 1.074091 2.021460 0.839592
H 0.680434 2.658376 -0.761085
H 6.236920 -0.905768 -0.888630
H 1.790974 -2.818062 -0.170238
H 1.095870 -2.067840 -1.609489
H 3.818959 2.042745 1.985822
H 2.511970 0.852620 1.989828
H 4.190883 0.316869 2.105736
H -0.218735 -2.538297 1.129919
H -0.761700 -3.098682 -0.456662
H 5.670488 -0.398443 1.847977
H -1.246216 2.324301 -0.665944
H -2.949254 -2.203726 0.474311
H -3.637076 2.008325 -0.207946
H -5.467050 1.359585 1.155382
H -5.757430 1.021543 -0.607106
H -6.874634 -1.200182 0.940204
H -9.099258 -0.039752 1.085222
H -8.337651 1.535432 0.658029


%chk=000251732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251732

0 1
O 6.581519 -0.808974 0.758702
O -4.853345 -0.546753 0.411354
C 3.654081 0.996969 0.126069
C 3.118894 -0.372273 -0.412406
C 1.661671 -0.649924 -0.001050
C 0.764701 0.487139 -0.586911
C 2.774293 2.123005 -0.468453
C 5.120904 0.943526 -0.387920
C 4.239316 -1.375668 -0.055622
C 1.267037 1.899209 -0.163704
C 5.559162 -0.560416 -0.276730
C 1.125102 -2.015469 -0.479392
C 3.653519 1.088866 1.678039
C -0.724343 0.240828 -0.289936
C -0.274763 -2.274448 0.114279
C -1.210836 -1.071904 0.004548
C -1.667098 1.295747 -0.348110
C -2.589551 -1.275416 0.227627
C -3.047469 1.098592 -0.124297
C -3.510238 -0.206135 0.168445
C -5.847982 0.536095 0.360567
C -7.189211 -0.095293 0.664760
C -8.366486 0.573239 0.709697
H 3.121367 -0.277195 -1.524332
H 1.584416 -0.631247 1.108223
H 0.895143 0.427090 -1.693909
H 2.920620 2.146726 -1.569194
H 3.085579 3.114632 -0.082857
H 5.818398 1.593164 0.171789
H 5.154818 1.261946 -1.448287
H 4.171253 -1.699024 1.001843
H 4.218244 -2.290048 -0.672954
H 1.063187 2.049670 0.914656
H 0.691050 2.678713 -0.697480
H 6.077920 -0.886101 -1.193099
H 1.810917 -2.829880 -0.178140
H 1.079608 -2.021416 -1.588068
H 4.134120 2.033696 1.994316
H 2.636022 1.074017 2.104538
H 4.210432 0.257341 2.149429
H -0.163670 -2.536457 1.187586
H -0.744565 -3.153700 -0.367037
H 6.215418 -0.529171 1.636247
H -1.327352 2.311265 -0.576219
H -2.972807 -2.277304 0.452423
H -3.730407 1.951034 -0.183131
H -5.590712 1.317142 1.107363
H -5.840800 1.005389 -0.646226
H -7.148603 -1.175366 0.856146
H -9.302962 0.053983 0.937271
H -8.436611 1.652462 0.522745


