%chk=000251594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251594

0 1
O -5.438894 0.045377 -0.432578
O 5.730324 -2.091954 0.393193
O 6.501232 -0.439215 -0.894297
O -6.387628 -0.987288 1.339976
C 2.405705 0.953477 0.496145
C 3.179692 -0.309328 0.004464
C 1.002280 1.010637 -0.119978
C 0.217849 -0.257840 0.318561
C -1.191153 -0.287853 -0.368079
C 2.454367 -1.540212 0.569875
C 4.593111 -0.035720 0.625973
C 1.001059 -1.566659 0.068746
C 3.385845 2.110037 0.240069
C 4.781448 1.500560 0.512053
C 0.252150 2.271181 0.349498
C -1.876540 1.068072 -0.212558
C 3.298620 -0.405230 -1.522074
C -2.031751 -1.390937 0.332816
C -1.219097 2.194894 0.093423
C -1.073648 -0.576595 -1.876386
C -3.353669 1.118386 -0.502463
C -3.507356 -1.384214 -0.068911
C -4.107827 -0.007050 0.206101
C 5.693023 -0.788063 -0.066308
C -6.508977 -0.484707 0.247201
C -7.741220 -0.320538 -0.573883
H 2.277338 0.869887 1.607207
H 1.075894 1.030181 -1.233230
H 0.047980 -0.173828 1.421450
H 2.475878 -1.530917 1.675447
H 2.977887 -2.469219 0.273846
H 4.584269 -0.340802 1.701478
H 0.996776 -1.802937 -1.015427
H 0.470423 -2.405924 0.558946
H 3.184160 2.972045 0.893968
H 3.310562 2.479812 -0.796503
H 5.485262 1.752657 -0.303872
H 5.221588 1.904313 1.437710
H 0.677636 3.162475 -0.154496
H 0.416198 2.436823 1.435881
H 3.738449 -1.358608 -1.833955
H 2.317377 -0.328072 -2.006589
H 3.923311 0.396022 -1.935566
H -1.952835 -1.266631 1.431524
H -1.598406 -2.384376 0.108430
H -1.738609 3.148725 0.184800
H -0.531611 -1.509684 -2.067776
H -2.060104 -0.667792 -2.343776
H -0.539015 0.229511 -2.391696
H -3.794287 2.095644 -0.220210
H -3.515357 1.039202 -1.600960
H -3.626114 -1.643938 -1.138883
H -4.064689 -2.159066 0.495034
H -4.243120 0.183779 1.292095
H 6.445041 -2.628820 -0.037908
H -7.651059 -0.835258 -1.543030
H -7.937099 0.739428 -0.799053
H -8.619468 -0.727549 -0.049765


%chk=000251594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251594

0 1
O -5.578735 0.071425 -0.383664
O 5.768779 -2.111383 0.842384
O 6.661945 -0.467657 -0.524878
O -6.331069 -0.912193 1.597748
C 2.424313 0.942935 0.416197
C 3.249977 -0.305629 -0.024502
C 1.016200 1.015030 -0.209473
C 0.227534 -0.292111 0.125857
C -1.205050 -0.313123 -0.534016
C 2.480223 -1.564500 0.433825
C 4.588868 -0.008424 0.762137
C 1.052140 -1.579333 -0.174529
C 3.399755 2.129982 0.229131
C 4.796545 1.535689 0.617528
C 0.246789 2.246790 0.322179
C -1.900532 1.050671 -0.343510
C 3.532647 -0.343564 -1.549985
C -2.068808 -1.404249 0.190565
C -1.239809 2.170772 0.056277
C -1.128195 -0.634216 -2.059959
C -3.397783 1.107826 -0.638298
C -3.567045 -1.385878 -0.191498
C -4.159724 -0.000866 0.104495
C 5.771337 -0.818565 0.282341
C -6.569784 -0.426755 0.467716
C -7.933723 -0.284285 -0.174938
H 2.266745 0.825388 1.514840
H 1.106599 1.115930 -1.310910
H 0.060124 -0.264809 1.228054
H 2.412014 -1.563912 1.541783
H 3.020529 -2.487394 0.148875
H 4.410027 -0.282309 1.819378
H 1.135698 -1.725300 -1.267325
H 0.512153 -2.463344 0.215041
H 3.131476 2.997671 0.857089
H 3.395530 2.475608 -0.822072
H 5.558532 1.743781 -0.153210
H 5.169410 1.961985 1.565688
H 0.657331 3.172692 -0.128616
H 0.421784 2.347196 1.417176
H 4.051605 -1.281423 -1.822555
H 2.603294 -0.297945 -2.141335
H 4.177635 0.492242 -1.871231
H -1.980410 -1.251498 1.286206
H -1.655877 -2.406848 -0.027380
H -1.813604 3.099454 0.196498
H -0.842704 -1.687311 -2.236350
H -2.098545 -0.471380 -2.560187
H -0.389113 0.013940 -2.564114
H -3.803382 2.096810 -0.359315
H -3.589975 0.975988 -1.722438
H -3.701055 -1.613036 -1.266348
H -4.110714 -2.157012 0.383638
H -4.169766 0.177335 1.196910
H 6.547002 -2.617600 0.480515
H -7.968911 -0.855581 -1.118910
H -8.128679 0.772919 -0.424744
H -8.708348 -0.654322 0.511919


