90
4CzPz_XRD/Gaussian 16 Excited States TDA 10 Singlets 10 Triplets Gas Phase B3LYP (GD3BJ) 6-31G(d,p)/Output/4CzPz_XRD.log	Energy: -1461926.8714151
N         -0.00005        1.37422       -0.00012
N          0.00006       -1.37422       -0.00020
N         -2.30834        1.44824        0.32211
N         -2.30819       -1.44846       -0.32248
N          2.30834       -1.44826        0.32208
N          2.30821        1.44847       -0.32238
C         -1.14747        0.70464        0.09184
C         -1.14746       -0.70472       -0.09215
C          1.14748       -0.70464        0.09183
C          1.14747        0.70473       -0.09209
C         -3.40479        1.03191        1.10021
C         -3.48191        0.00521        2.03749
H         -2.62867       -0.61689        2.27556
C         -4.71146       -0.21258        2.65532
H         -4.80373       -1.02468        3.36888
C         -5.82421        0.59230        2.36831
H         -6.76920        0.39506        2.86397
C         -5.72359        1.64962        1.46731
H         -6.57886        2.28602        1.26256
C         -4.50368        1.87974        0.82760
C         -4.05032        2.87066       -0.13042
C         -4.68182        3.93510       -0.77751
H         -5.72552        4.15664       -0.57690
C         -3.95527        4.69886       -1.68793
H         -4.43308        5.52981       -2.19685
C         -2.60767        4.40876       -1.94998
H         -2.05625        5.02178       -2.65592
C         -1.95186        3.35423       -1.31405
H         -0.90592        3.14450       -1.49562
C         -2.69004        2.59411       -0.40949
C         -2.68983       -2.59430        0.40928
C         -1.95146       -3.35445        1.31363
H         -0.90546       -3.14479        1.49492
C         -2.60719       -4.40895        1.94973
H         -2.05562       -5.02200        2.65553
C         -3.95486       -4.69896        1.68804
H         -4.43260       -5.52987        2.19708
C         -4.68160       -3.93515        0.77779
H         -5.72536       -4.15661        0.57744
C         -4.05018       -2.87077        0.13053
C         -4.50371       -1.87986       -0.82744
C         -5.72372       -1.64977       -1.46698
H         -6.57897       -2.28613       -1.26203
C         -5.82445       -0.59250       -2.36803
H         -6.76952       -0.39526       -2.86354
C         -4.71173        0.21233       -2.65528
H         -4.80410        1.02437       -3.36890
C         -3.48209       -0.00546       -2.03765
H         -2.62885        0.61658       -2.27589
C         -3.40485       -1.03209       -1.10030
C          2.69006       -2.59409       -0.40960
C          1.95191       -3.35413       -1.31423
H          0.90598       -3.14438       -1.49583
C          2.60774       -4.40862       -1.95022
H          2.05634       -5.02158       -2.65623
C          3.95532       -4.69875       -1.68814
H          4.43315       -5.52967       -2.19711
C          4.68184       -3.93506       -0.77764
H          5.72553       -4.15663       -0.57700
C          4.05033       -2.87067       -0.13049
C          4.50366       -1.87982        0.82762
C          5.72354       -1.64976        1.46740
H          6.57881       -2.28616        1.26264
C          5.82413       -0.59252        2.36849
H          6.76911       -0.39533        2.86421
C          4.71138        0.21235        2.65551
H          4.80363        1.02439        3.36914
C          3.48186       -0.00538        2.03762
H          2.62861        0.61670        2.27570
C          3.40476       -1.03200        1.10025
C          3.40486        1.03215       -1.10023
C          3.48211        0.00557       -2.03763
H          2.62888       -0.61647       -2.27589
C          4.71176       -0.21218       -2.65527
H          4.80413       -1.02419       -3.36892
C          5.82446        0.59266       -2.36799
H          6.76954        0.39545       -2.86352
C          5.72372        1.64988       -1.46690
H          6.57896        2.28624       -1.26192
C          4.50372        1.87993       -0.82734
C          4.05018        2.87079        0.13068
C          4.68158        3.93516        0.77798
H          5.72534        4.15665        0.57762
C          3.95484        4.69892        1.68825
H          4.43257        5.52982        2.19733
C          2.60717        4.40888        1.94995
H          2.05560        5.02190        2.65578
C          1.95145        3.35440        1.31381
H          0.90546        3.14472        1.49510
C          2.68983        2.59429        0.40942

90
3CzBPz_XRD/Gaussian 16 Excited States TD-DFT 10 Singlets 10 Triplets Gas Phase PBE1PBE (GD3BJ) 6-31G(d,p)/Output/3CzBPz_XRD.log	Energy: -1426224.3362284
N         -0.33430       -0.92650       -0.25371
N          1.88715       -1.38338        0.23203
N          0.15530        1.74661       -0.46577
N          2.44858        1.39798       -0.62008
N         -2.59042       -0.65603       -0.64347
C         -1.10410        1.31751       -0.37814
C          2.05708       -2.65578       -0.33392
C          3.29777       -3.17365        0.09556
C          0.90336       -0.47027       -0.13749
C         -1.33743       -0.08012       -0.44345
C          2.98204       -1.11425        1.05973
C          4.68921        1.44882       -1.05527
C          3.88421       -2.19519        0.98432
C          3.43994       -0.36433       -2.12560
H          2.51069       -0.87692       -2.34596
C          1.23256       -3.35169       -1.21269
H          0.26867       -2.95552       -1.50749
C          2.96832        2.53307        0.01607
C         -3.23807        2.28247        0.60484
C          4.35965        2.58036       -0.21780
C         -2.13885        2.36912       -0.27096
C          1.16540        0.89003       -0.42395
C          3.48731        0.75134       -1.29615
C          3.72204       -4.41724       -0.37002
H          4.67586       -4.82635       -0.05006
C         -3.60043       -0.19279       -1.49275
C          1.68145       -4.58825       -1.66454
H          1.05561       -5.15701       -2.34554
C          3.20719       -0.02754        1.89779
H          2.49275        0.78178        1.99317
C         -4.75140       -0.98689       -1.30286
C         -3.06878       -1.78508        0.04368
C         -4.41340       -1.99692       -0.32718
C          5.06743       -2.15534        1.72008
H          5.77475       -2.97766        1.66715
C          2.32198        3.47793        0.80755
H          1.24859        3.44558        0.94964
C         -3.37065        1.21630        1.62059
C          4.63846       -0.81410       -2.66515
H          4.63032       -1.69640       -3.29742
C          5.11912        3.59839        0.35698
H          6.19094        3.64522        0.18793
C         -2.00332        3.48770       -1.10192
H         -1.12824        3.54826       -1.74168
C          4.48533        4.54326        1.15340
H          5.06358        5.34254        1.60642
C          5.32422       -1.05018        2.52077
H          6.24606       -1.00031        3.09167
C          4.39763       -0.00495        2.61367
H          4.60723        0.84502        3.25542
C          5.87791        0.98428       -1.61608
H          6.81195        1.50763       -1.43431
C         -2.29336        0.88262        2.45137
H         -1.34896        1.40761        2.33707
C         -3.56526        0.81057       -2.45745
H         -2.66909        1.38662       -2.64716
C          3.10394        4.47959        1.37300
H          2.62597        5.23402        1.99069
C          2.90976       -5.11820       -1.25182
H          3.22562       -6.08893       -1.62104
C         -2.97172        4.47971       -1.13078
H         -2.85603        5.33239       -1.79269
C          5.84700       -0.15544       -2.40857
H          6.76602       -0.53477       -2.84413
C         -5.13965       -3.03740        0.25063
H         -6.17588       -3.20447       -0.02900
C         -4.21007        3.28757        0.55190
H         -5.05247        3.22750        1.23452
C         -2.43458       -2.60153        0.97563
H         -1.39780       -2.44689        1.24124
C         -5.90632       -0.72315       -2.03905
H         -6.79709       -1.32787       -1.89575
C         -4.72741        1.05784       -3.17673
H         -4.72430        1.84649       -3.92275
C         -4.09269        4.36725       -0.31251
H         -4.86306        5.13229       -0.32933
C         -4.59163        0.55978        1.80608
H         -5.42236        0.79065        1.14574
C         -4.51576       -3.85152        1.18554
H         -5.06378       -4.67037        1.64149
C         -5.89260        0.31098       -2.96466
H         -6.78434        0.53194       -3.54281
C         -2.43379       -0.08882        3.43473
H         -1.58992       -0.33451        4.07271
C         -3.17866       -3.63192        1.53735
H         -2.70323       -4.28445        2.26348
C         -3.65237       -0.74097        3.60496
H         -3.75783       -1.51007        4.36372
C         -4.72964       -0.41424        2.78843
H         -5.67467       -0.93635        2.89922

90
2CzBPz/Gaussian 16 Excited States TDA 10 Singlets 10 Triplets Gas Phase PBE1PBE (GD3BJ) 6-31G(d,p)/Output/2CzBPz.log	Energy: -1392269.9609026
N          2.64951       -0.67426       -0.90085
N          0.43059       -1.29170       -0.74618
C          0.87238        1.03837       -0.63880
C          3.64533       -0.01842       -1.62797
C          1.74066        2.21221       -0.39911
C          1.30863       -0.29949       -0.78584
C          4.62719       -1.72357       -0.44474
C          2.75257        2.22382        0.57910
C          4.88762       -0.62864       -1.35007
C          3.23646       -1.74222       -0.20459
C          3.53797        1.01531       -2.55470
H          2.58078        1.45040       -2.81156
C          3.49941       -3.61290        1.23954
H          3.06888       -4.36323        1.89604
C          2.91156        1.13713        1.56920
C          5.45273       -2.66241        0.17313
H          6.52410       -2.65304       -0.00598
C          1.53482        3.34261       -1.19698
H          0.72073        3.32351       -1.91528
C          4.88204       -3.60423        1.01772
H          5.50875       -4.34617        1.50309
C          2.65633       -2.68892        0.63476
H          1.58651       -2.71329        0.79228
C          2.36484        4.44936       -1.09485
H          2.20016        5.31264       -1.73219
C          4.70635        1.47960       -3.14443
H          4.64545        2.29519       -3.85842
C          3.58725        3.34343        0.65821
H          4.36233        3.35868        1.41875
C          1.80119        0.64452        2.26751
H          0.81671        1.05657        2.06389
C          5.95253        0.91583       -2.84349
H          6.84650        1.30399       -3.32148
C          6.04781       -0.14837       -1.95768
H          7.00804       -0.61023       -1.74676
C          4.17652        0.62105        1.86705
H          5.03756        0.97523        1.30795
C          3.41129        4.43894       -0.17656
H          4.07410        5.29481       -0.09138
C          1.95473       -0.34414        3.23204
H          1.08526       -0.71405        3.76889
C          3.21894       -0.85547        3.51478
H          3.33718       -1.63758        4.25827
C          4.32789       -0.37052        2.82987
H          5.31207       -0.78377        3.02589
N         -2.64954        0.67422       -0.90084
N         -0.43062        1.29170       -0.74617
C         -0.87240       -1.03837       -0.63875
C         -3.64533        0.01820       -1.62783
C         -1.74069       -2.21220       -0.39904
C         -1.30866        0.29949       -0.78577
C         -4.62727        1.72354       -0.44495
C         -2.75253       -2.22379        0.57922
C         -4.88764        0.62846       -1.35011
C         -3.23655        1.74224       -0.20472
C         -3.53792       -1.01574       -2.55432
H         -2.58071       -1.45089       -2.81102
C         -3.49961        3.61311        1.23916
H         -3.06914        4.36353        1.89558
C         -2.91153       -1.13699        1.56919
C         -5.45286        2.66246        0.17274
H         -6.52422        2.65304       -0.00642
C         -1.53484       -3.34264       -1.19686
H         -0.72080       -3.32355       -1.91521
C         -4.88223        3.60439        1.01725
H         -5.50898        4.34638        1.50249
C         -2.65649        2.68907        0.63454
H         -1.58667        2.71348        0.79210
C         -2.36477       -4.44945       -1.09457
H         -2.20009       -5.31276       -1.73187
C         -4.70626       -1.48016       -3.14402
H         -4.64532       -2.29590       -3.85782
C         -3.58709       -3.34348        0.65854
H         -4.36210       -3.35873        1.41915
C         -1.80108       -0.64389        2.26701
H         -0.81654       -1.05566        2.06311
C         -5.95246       -0.91632       -2.84327
H         -6.84640       -1.30459       -3.32122
C         -6.04780        0.14806       -1.95769
H         -7.00804        0.60995       -1.74690
C         -4.17654       -0.62123        1.86735
H         -5.03766       -0.97581        1.30862
C         -3.41112       -4.43905       -0.17616
H         -4.07385       -5.29496       -0.09085
C         -1.95459        0.34496        3.23135
H         -1.08504        0.71527        3.76781
C         -3.21886        0.85597        3.51440
H         -3.33708        1.63822        4.25774
C         -4.32789        0.37051        2.83000
H         -5.31213        0.78351        3.02625
