%chk=000258974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258974

0 1
N -1.958586 0.385272 0.420831
N 0.882503 0.002986 -0.030577
N -4.084336 -1.184102 -1.868440
C -1.255058 1.051367 -0.726011
C -1.299447 -0.938519 0.679681
C -3.445453 0.288230 0.236466
C 0.214660 1.306268 -0.335108
C 0.169908 -0.699017 1.081482
C -4.037744 1.694481 0.030302
C -4.083602 -0.357917 1.479892
C 2.307490 -0.016078 -0.012607
C -3.806273 -0.542539 -0.951182
C 3.047907 0.932211 -0.757026
C 3.003677 -1.055900 0.647447
C 4.435202 0.830010 -0.838562
C 4.391393 -1.139806 0.552974
C 5.118030 -0.199933 -0.184337
H -1.741605 2.027071 -0.940310
H -1.297457 0.446927 -1.660367
H -1.343474 -1.615856 -0.203181
H -1.819226 -1.451608 1.517077
H 0.735686 1.797810 -1.188715
H 0.262381 2.002494 0.532235
H 0.215124 -0.115631 2.028531
H 0.658032 -1.682855 1.270109
H -3.719376 2.152897 -0.913551
H -5.133867 1.668461 0.023912
H -3.725898 2.364829 0.843491
H -3.798795 -1.409649 1.602819
H -5.178356 -0.322792 1.430048
H -3.775018 0.175226 2.390068
H 2.539046 1.736272 -1.284261
H 2.460251 -1.805947 1.218059
H 4.992868 1.564496 -1.419592
H 4.914671 -1.948941 1.062413
H 6.199142 -0.270617 -0.250410


%chk=000258974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258974

0 1
N -1.981621 0.362604 0.387404
N 0.896305 0.025887 0.001476
N -4.103927 -1.210473 -1.891262
C -1.277006 1.013212 -0.751527
C -1.321018 -0.947991 0.637446
C -3.476938 0.302360 0.256284
C 0.201407 1.262425 -0.407995
C 0.156444 -0.750163 1.016484
C -4.062039 1.730961 0.072478
C -4.107303 -0.323663 1.532538
C 2.314384 -0.017857 -0.015396
C -3.872570 -0.534374 -0.933740
C 3.084311 0.949993 -0.735559
C 3.038895 -1.049664 0.661925
C 4.489921 0.864221 -0.799306
C 4.444733 -1.122799 0.589696
C 5.190753 -0.172741 -0.143468
H -1.735496 1.991425 -0.966480
H -1.340055 0.386390 -1.673550
H -1.386119 -1.608190 -0.260827
H -1.811547 -1.460689 1.479875
H 0.676387 1.672936 -1.313749
H 0.264697 2.034478 0.392960
H 0.213910 -0.253699 2.012364
H 0.600387 -1.754170 1.111968
H -3.794599 2.179822 -0.897294
H -5.162874 1.692202 0.126688
H -3.683599 2.373812 0.886177
H -3.883531 -1.397212 1.637401
H -5.204285 -0.216499 1.496327
H -3.721574 0.214644 2.415810
H 2.598372 1.781048 -1.253135
H 2.516808 -1.807014 1.252270
H 5.040525 1.624275 -1.366234
H 4.959643 -1.932914 1.119657
H 6.282620 -0.232982 -0.194106


