%chk=000241764.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241764

0 1
O -0.584663 2.145299 -0.426071
O 4.562324 -0.400573 0.047207
O -5.583841 -0.013582 -2.155796
O 0.314473 3.606478 1.158531
O 4.504434 1.235903 -1.601578
C 1.070020 -1.709320 -0.147169
C 2.023336 -0.550723 0.284872
C -0.321026 -1.596040 0.503629
C -0.997806 -0.229645 0.096031
C -2.436011 -0.105031 0.782817
C 1.400538 0.770116 -0.206994
C -0.037137 0.966427 0.338474
C 3.303877 -1.007765 -0.473307
C 1.912354 -2.993747 0.076264
C -1.217562 -2.801884 0.130751
C 3.375047 -2.547667 -0.268555
C -3.208880 -1.343954 0.295089
C 2.297522 -0.500936 1.810916
C -2.651071 -2.682347 0.725384
C -3.247712 1.174407 0.410654
C -2.323288 -0.097052 2.339066
C -3.766558 1.200217 -1.038291
C -4.226686 -1.270285 -0.623101
C -4.624630 -0.030051 -1.324155
C -0.292170 3.417767 0.079371
C 5.060263 0.723991 -0.620153
C -0.801878 4.488629 -0.859512
C 6.353345 1.196012 0.007173
H 0.924279 -1.601503 -1.247450
H -0.181129 -1.614146 1.603098
H -1.164162 -0.277301 -1.002635
H 1.352025 0.766995 -1.313438
H 2.008604 1.643096 0.091752
H -0.003773 1.256130 1.404604
H 3.218477 -0.729457 -1.540987
H 1.575654 -3.831267 -0.558650
H 1.839204 -3.331914 1.127229
H -0.747129 -3.737262 0.488260
H -1.294283 -2.874293 -0.973502
H 4.078039 -2.775393 0.551434
H 3.758348 -3.047281 -1.174654
H 3.009774 0.311898 2.034995
H 1.379386 -0.305132 2.390775
H 2.741670 -1.439373 2.185648
H -2.595092 -2.765997 1.827759
H -3.284788 -3.509800 0.359213
H -2.652251 2.075962 0.619433
H -4.123067 1.207235 1.091472
H -1.888147 0.859534 2.682658
H -3.328577 -0.181479 2.790502
H -1.706522 -0.913697 2.747953
H -2.917130 1.213824 -1.750687
H -4.367865 2.104579 -1.240352
H -4.754225 -2.180595 -0.937827
H -1.804454 4.232771 -1.240167
H -0.126886 4.565231 -1.731280
H -0.824224 5.458542 -0.341474
H 6.571565 0.649234 0.935610
H 6.288906 2.278357 0.210121
H 7.181061 1.046258 -0.708861


%chk=000241764-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241764

0 1
O -0.587273 2.140243 -0.427199
O 4.562451 -0.383506 0.030377
O -5.599010 0.025832 -2.114212
O 0.304991 3.609424 1.154896
O 4.504449 1.247094 -1.647800
C 1.074794 -1.706056 -0.168375
C 2.025559 -0.551780 0.279358
C -0.315094 -1.602974 0.486231
C -0.994129 -0.232971 0.097318
C -2.427671 -0.116848 0.796240
C 1.404117 0.774712 -0.198550
C -0.036484 0.965134 0.341705
C 3.306741 -0.999619 -0.482373
C 1.918510 -2.993657 0.036715
C -1.212719 -2.803195 0.098149
C 3.385709 -2.538306 -0.277540
C -3.204659 -1.347141 0.293882
C 2.295377 -0.519808 1.806477
C -2.644729 -2.692775 0.698540
C -3.238843 1.169949 0.450393
C -2.304996 -0.133775 2.351713
C -3.770377 1.219162 -0.993312
C -4.229506 -1.257622 -0.615009
C -4.632404 -0.005413 -1.291545
C -0.300656 3.415266 0.075212
C 5.059151 0.740637 -0.646496
C -0.811593 4.482336 -0.867370
C 6.331475 1.226177 0.013759
H 0.927523 -1.583309 -1.266775
H -0.172606 -1.635983 1.584941
H -1.168901 -0.271136 -1.000414
H 1.360870 0.784945 -1.305189
H 2.010186 1.644566 0.113746
H -0.008584 1.257727 1.407210
H 3.212892 -0.724245 -1.550107
H 1.591003 -3.815273 -0.623359
H 1.831787 -3.358805 1.077543
H -0.741386 -3.743906 0.440158
H -1.292569 -2.858900 -1.006836
H 4.070753 -2.759352 0.559386
H 3.794382 -3.035912 -1.173553
H 3.036399 0.265017 2.037145
H 1.382500 -0.292752 2.383284
H 2.702304 -1.475877 2.178961
H -2.585792 -2.795979 1.799164
H -3.279753 -3.513558 0.319796
H -2.638969 2.066677 0.667940
H -4.108201 1.195575 1.139183
H -1.863701 0.815469 2.707669
H -3.307965 -0.220711 2.807783
H -1.689774 -0.959368 2.744433
H -2.926889 1.243104 -1.712402
H -4.372371 2.127270 -1.175568
H -4.759901 -2.162236 -0.941146
H -1.784462 4.195327 -1.298380
H -0.099568 4.603092 -1.704226
H -0.894006 5.441377 -0.334944
H 6.104395 1.623130 1.019253
H 6.785919 2.019986 -0.596146
H 7.041203 0.391916 0.142368


