%chk=000212871.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212871

0 1
O 3.155163 1.680276 -1.709984
O -7.732659 0.264345 0.723315
N -1.288109 0.310443 -0.667753
N -5.019163 0.427188 -0.163436
C 1.678473 0.193648 -0.516671
C 0.802530 0.911628 0.536733
C 0.886983 0.204316 -1.846862
C -0.591653 0.274433 0.659317
C -0.495608 -0.441765 -1.695343
C 2.105155 -1.213268 -0.127994
C 2.972280 1.038603 -0.701960
C -2.680906 -0.233257 -0.559115
C -3.606093 0.925981 -0.126064
C 3.969039 0.994164 0.433494
C 2.620203 -2.073094 -1.114601
C 2.043567 -1.669809 1.196965
C 4.972018 2.150118 0.360273
C -5.978815 1.555805 -0.401391
C -5.376983 -0.281412 1.109696
C 3.043874 -3.361832 -0.786363
C 2.466889 -2.961837 1.524384
C -7.401757 0.980617 -0.484554
C -6.813023 -0.815124 0.987057
C 6.052773 2.029436 1.441718
C 2.966450 -3.812676 0.535536
C 7.043082 3.189590 1.373375
H 1.294551 0.921547 1.526416
H 0.683290 1.974855 0.235091
H 0.773724 1.258146 -2.186036
H 1.457846 -0.299301 -2.649448
H -0.505875 -0.755695 1.069874
H -1.200469 0.863467 1.379666
H -1.040327 -0.372896 -2.662854
H -0.387398 -1.521610 -1.453659
H -3.022942 -0.607512 -1.550135
H -2.769511 -1.091172 0.138571
H -3.302337 1.324746 0.863529
H -3.481442 1.765347 -0.846898
H 3.452105 0.992245 1.413011
H 4.503354 0.018725 0.389141
H 2.688328 -1.732475 -2.149237
H 1.665523 -1.022412 1.986955
H 5.435944 2.175187 -0.648081
H 4.439138 3.116325 0.456174
H -5.934250 2.336970 0.387338
H -5.714227 2.040861 -1.365474
H -4.670989 -1.126846 1.249898
H -5.294745 0.370330 2.006093
H -7.517665 0.300792 -1.347110
H -8.171654 1.770933 -0.509876
H -7.191840 -1.222094 1.940260
H -6.902756 -1.567048 0.183295
H 3.437001 -4.017082 -1.562619
H 2.407292 -3.303924 2.556546
H 6.594750 1.069810 1.328947
H 5.584462 1.996821 2.444690
H 3.294745 -4.817853 0.791080
H 7.816654 3.096932 2.143722
H 6.546105 4.155366 1.520974
H 7.550504 3.230197 0.402188


%chk=000212871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212871

0 1
O 3.134280 1.748525 -1.762248
O -7.761132 0.241494 0.934589
N -1.311987 0.313602 -0.806530
N -5.075567 0.506346 -0.157406
C 1.684815 0.147437 -0.576681
C 0.770438 0.914792 0.439188
C 0.904031 0.109499 -1.925283
C -0.655912 0.328759 0.524006
C -0.507196 -0.482699 -1.770337
C 2.108118 -1.263515 -0.108236
C 2.977407 1.019097 -0.747913
C -2.722498 -0.141887 -0.738511
C -3.670166 0.973949 -0.245874
C 4.027282 0.969846 0.364959
C 2.800097 -2.112327 -1.016695
C 1.905761 -1.742966 1.211736
C 4.988295 2.175141 0.373993
C -6.057314 1.619074 -0.238342
C -5.343009 -0.313773 1.053383
C 3.258530 -3.389057 -0.628596
C 2.360598 -3.021942 1.606349
C -7.487847 1.055854 -0.262565
C -6.781656 -0.854412 1.016629
C 6.107424 2.028355 1.429050
C 3.037798 -3.854647 0.688517
C 7.060310 3.242785 1.458130
H 1.218366 0.942944 1.449900
H 0.683361 1.961199 0.090720
H 0.825075 1.143334 -2.303797
H 1.462971 -0.462612 -2.686517
H -0.628408 -0.701927 0.961831
H -1.251845 0.957336 1.210623
H -1.019151 -0.454665 -2.750054
H -0.439638 -1.557570 -1.460091
H -3.047759 -0.430153 -1.754225
H -2.824946 -1.054329 -0.097583
H -3.315175 1.387857 0.731239
H -3.620628 1.800612 -0.977480
H 3.525047 0.850211 1.345362
H 4.602374 0.029344 0.226790
H 2.993203 -1.768332 -2.039645
H 1.392189 -1.121303 1.951640
H 5.430328 2.293846 -0.633000
H 4.414056 3.103750 0.565059
H -5.958853 2.322668 0.627490
H -5.873387 2.192170 -1.166752
H -4.637703 -1.163877 1.088713
H -5.203449 0.288776 1.987913
H -7.625442 0.436129 -1.174955
H -8.236290 1.865408 -0.245772
H -7.026808 -1.399106 1.943599
H -6.900706 -1.529952 0.142005
H 3.789740 -4.018545 -1.351584
H 2.185004 -3.365975 2.632135
H 6.688459 1.106725 1.218901
H 5.655692 1.888120 2.432811
H 3.390049 -4.846289 0.993299
H 7.857612 3.114662 2.213191
H 6.511051 4.172154 1.700152
H 7.545311 3.388257 0.474575


