%chk=000216545.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216545

0 1
O -7.862091 0.002014 -1.454006
O -8.843322 0.732691 0.579983
O 6.270443 -1.881315 -1.077486
N -2.793358 -0.901109 -0.270582
N -0.373941 0.346887 -1.288182
N 0.774512 2.018666 -0.066023
N 4.160174 -0.328411 0.034669
N 2.313918 -1.331911 -0.898576
N 3.124248 1.891936 0.592390
C -2.501155 0.543994 0.011335
C -1.517805 -1.684067 -0.395024
C -1.638768 1.126748 -1.125262
C -0.670062 -1.091030 -1.538532
C -3.659056 -1.492631 0.804055
C 0.763162 0.739738 -0.599999
C -5.032753 -0.863453 0.786143
C 1.971959 -0.023038 -0.508068
C 3.119459 0.616272 0.088310
C -5.721421 -0.760639 -0.452380
C -5.611001 -0.427530 1.979260
C -6.981008 -0.213219 -0.401243
C -7.570818 0.226867 0.821884
C -6.909720 0.132239 2.024562
C 3.595175 -1.502741 -0.578005
C 1.924181 2.520519 0.475319
C 5.507138 -0.176407 0.487033
C -9.060757 0.603312 -0.863028
C 6.554700 -0.926135 -0.102314
C 5.819902 0.709102 1.533464
C 7.873876 -0.802089 0.343997
C 7.139808 0.833006 1.972097
C 8.163241 0.079340 1.387494
C 6.400966 -1.382126 -2.436811
H -1.999250 0.707687 0.989352
H -3.471640 1.088293 0.049912
H -0.922319 -1.710755 0.543019
H -1.778688 -2.735455 -0.645538
H -1.419571 2.201873 -0.930859
H -2.183868 1.073641 -2.095681
H 0.260365 -1.685871 -1.682554
H -1.230847 -1.145823 -2.501832
H -3.202688 -1.419665 1.816587
H -3.772804 -2.583117 0.589775
H -5.254752 -1.087984 -1.380471
H -5.060775 -0.513423 2.915432
H -7.351885 0.466408 2.958093
H 4.200186 -2.393612 -0.738236
H 1.861396 3.550034 0.868033
H -9.896763 -0.091222 -1.017208
H -9.171009 1.613057 -1.279322
H 5.031389 1.312832 1.996787
H 8.653484 -1.402094 -0.123704
H 7.370233 1.526429 2.781558
H 9.187793 0.180283 1.744246
H 6.165867 -2.272157 -3.032517
H 7.424632 -1.043781 -2.616534
H 5.675886 -0.581757 -2.612613


%chk=000216545-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216545

0 1
O -7.741180 0.599016 -1.789063
O -9.196085 0.749761 0.113236
O 6.218330 -1.527372 -1.634553
N -2.973417 -0.905893 0.091744
N -0.449676 0.350440 -0.473888
N 0.890271 2.101589 0.365593
N 4.262342 -0.205752 -0.103215
N 2.304736 -1.242758 -0.716860
N 3.324916 1.990344 0.631790
C -2.663366 0.444825 0.627026
C -1.738759 -1.716421 -0.049300
C -1.664182 1.175030 -0.289574
C -0.729779 -1.011312 -0.978392
C -4.026247 -1.603880 0.867113
C 0.798084 0.813444 -0.133292
C -5.399991 -0.954784 0.725849
C 2.020072 0.064775 -0.260638
C 3.221437 0.722969 0.134061
C -5.827521 -0.490427 -0.554010
C -6.262521 -0.854728 1.843969
C -7.111744 0.043235 -0.642765
C -7.970129 0.131727 0.475540
C -7.572575 -0.306985 1.739078
C 3.632794 -1.364921 -0.609230
C 2.106767 2.603457 0.708112
C 5.660363 -0.016936 0.167365
C -9.139303 0.875127 -1.367604
C 6.664123 -0.682981 -0.603233
C 6.061711 0.858789 1.203667
C 8.031902 -0.472801 -0.310603
C 7.427744 1.068390 1.486194
C 8.413616 0.399225 0.732179
C 7.222608 -2.100868 -2.535662
H -2.235363 0.384081 1.659863
H -3.599808 1.027660 0.682529
H -1.248331 -1.903400 0.940122
H -2.004460 -2.697013 -0.486930
H -1.361489 2.141363 0.140378
H -2.133382 1.342090 -1.279571
H 0.207991 -1.583630 -1.048222
H -1.179235 -0.925347 -1.988394
H -3.769261 -1.678518 1.954582
H -4.070603 -2.643546 0.483129
H -5.150582 -0.545438 -1.410443
H -5.914558 -1.207786 2.821516
H -8.233586 -0.225226 2.605511
H 4.205879 -2.241723 -0.886399
H 2.107945 3.627079 1.095568
H -9.808493 0.118200 -1.819298
H -9.402702 1.906210 -1.649899
H 5.290596 1.397581 1.758117
H 8.802503 -0.984024 -0.894348
H 7.713045 1.752671 2.291170
H 9.476679 0.551478 0.946884
H 6.643644 -2.651978 -3.291027
H 7.894163 -2.797697 -1.998262
H 7.818264 -1.307112 -3.025011


