%chk=000246228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246228

0 1
O -1.211017 0.629173 0.237069
O -3.297550 0.377199 -1.364583
O 3.253811 0.522015 -0.030200
O -4.112046 -1.249402 -0.009810
O 4.571308 -1.221247 -0.744920
N -2.175987 -0.436007 -1.581935
N 1.439692 0.460685 -2.074570
N 2.180960 -0.379941 0.083751
C 0.092016 -2.285964 0.257513
C 1.156996 -3.339584 -0.105845
C -1.288478 -2.957509 0.403629
C 1.207009 -4.448472 0.953402
C -1.237384 -4.064965 1.467051
C -0.164265 -5.110958 1.138639
C 0.051666 -1.170936 -0.834462
C 1.301163 -0.301926 -0.894056
C -1.141992 -0.248179 -0.584712
C -4.252475 -0.132895 -0.450415
C 4.484037 -0.096575 -0.330262
C -5.321179 0.859210 -0.245435
C 5.551671 0.907879 -0.097789
C -6.537584 0.425579 0.309778
C -5.130967 2.210162 -0.576881
C 6.767001 0.758669 -0.785142
C 5.367908 1.969414 0.799915
C -7.564034 1.346948 0.522484
C -6.164053 3.124554 -0.359165
C 7.793836 1.681545 -0.577500
C 6.401287 2.887912 1.002872
C -7.377558 2.693686 0.188016
C 7.610713 2.744707 0.314742
H 0.369394 -1.810970 1.233492
H 2.158703 -2.865130 -0.183448
H 0.947113 -3.777202 -1.098515
H -1.612063 -3.391553 -0.560176
H -2.067445 -2.223625 0.696345
H 1.959622 -5.205465 0.663447
H 1.556179 -4.027101 1.916706
H -1.035204 -3.618898 2.460595
H -2.229120 -4.548773 1.546018
H -0.443097 -5.660782 0.219830
H -0.113887 -5.866379 1.944472
H -0.032502 -1.687504 -1.831761
H -2.478164 -1.396826 -1.788124
H 2.139425 1.194598 -2.056506
H 0.598616 0.729659 -2.566848
H -6.668455 -0.626823 0.574305
H -4.175858 2.537560 -0.998206
H 6.902243 -0.080873 -1.471330
H 4.419329 2.068785 1.335498
H -8.509589 1.017573 0.952313
H -6.021834 4.174596 -0.613391
H 8.738869 1.571084 -1.107592
H 6.263867 3.713557 1.699897
H -8.181853 3.410823 0.357455
H 8.415504 3.462289 0.475646


%chk=000246228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246228

0 1
O -0.996792 0.231910 1.352136
O -3.228118 0.659558 -0.245371
O 3.422931 0.285001 -0.290208
O -4.326143 -0.426900 -1.993688
O 5.036344 -1.376645 0.147074
N -2.093553 -0.125757 -0.691436
N 1.140081 0.642457 -1.470605
N 2.382998 -0.746597 0.058606
C 0.225423 -2.519918 0.563525
C 1.162639 -3.564506 -0.101364
C -1.145824 -3.169869 0.895026
C 1.327470 -4.822209 0.784105
C -0.981429 -4.429606 1.778702
C -0.036232 -5.464355 1.125730
C 0.026923 -1.269474 -0.350161
C 1.273728 -0.409468 -0.589645
C -1.063572 -0.328741 0.232871
C -4.376544 0.403632 -1.052673
C 4.742722 -0.187910 -0.084600
C -5.527767 1.224280 -0.623556
C 5.719911 0.936182 -0.227035
C -6.739856 1.094216 -1.352973
C -5.447458 2.114794 0.481299
C 7.096767 0.599876 -0.304740
C 5.323860 2.298752 -0.270596
C -7.865862 1.854270 -0.979951
C -6.579327 2.871102 0.846569
C 8.066720 1.614445 -0.435555
C 6.298722 3.311135 -0.398052
C -7.787245 2.743550 0.118899
C 7.670005 2.972279 -0.484437
H 0.692870 -2.173319 1.505676
H 2.149333 -3.110232 -0.291386
H 0.731095 -3.865057 -1.081665
H -1.652898 -3.457724 -0.052671
H -1.802748 -2.444470 1.412735
H 1.981940 -5.553329 0.271650
H 1.845041 -4.536016 1.722426
H -0.566905 -4.127041 2.762223
H -1.973458 -4.881135 1.974921
H -0.502785 -5.851214 0.195419
H 0.103219 -6.332067 1.799494
H -0.301123 -1.631028 -1.349832
H -2.355839 -0.770916 -1.454825
H 1.944461 1.243797 -1.636603
H 0.228027 0.899637 -1.841610
H -6.777869 0.399947 -2.198810
H -4.511441 2.203948 1.040075
H 7.380669 -0.456671 -0.257122
H 4.263805 2.554293 -0.185854
H -8.801086 1.755562 -1.540682
H -6.522175 3.557436 1.697670
H 9.127919 1.350238 -0.497364
H 5.992217 4.362570 -0.424734
H -8.663831 3.333784 0.407885
H 8.424339 3.760919 -0.583615


