! wB97X-D3 TightOpt Freq def2-TZVPPD def2/J RIJCOSX TightSCF defgrid3
%maxcore 8192

%pal nprocs 8
end

%chelpg
grid 0.1
rmax 3.0
end

%elprop
Dipole true
Quadrupole true
Polar 1
end

* xyz 1 1
 N         -1.7788885681    +0.4927623844    -1.7022755363
 N         +2.9386786516    -1.3496494312    +0.7171999326
 C         -3.1203195594    +0.5362428245    -1.1545244066
 C         -3.9315464393    +1.5962821122    -1.8980746908
 C         -3.8159028754    -0.8263179355    -1.2642099004
 C         -5.3461529735    +1.6768691044    -1.3291292116
 C         -5.2283489066    -0.7448011117    -0.6920301442
 C         -6.0394621087    +0.3211596802    -1.4220781254
 C         -0.6724140386    +0.0208446129    -1.1019781950
 C         +0.5379843526    -0.0247268192    -1.8240745192
 C         -0.6518216949    -0.4138103526    +0.2379762048
 C         +1.6999005846    -0.4700670778    -1.2422660821
 C         +0.5131624407    -0.8569899077    +0.8186804374
 C         +1.6873179632    -0.8907636079    +0.0802560109
 C         +3.4396882897    -0.3862498723    +1.7150797331
 C         +3.3855300868    -0.7088617170    +3.0591786818
 C         +3.9241005354    +0.8375198453    +1.2851703210
 C         +3.8327647224    +0.2135664604    +3.9917741695
 C         +4.3685436411    +1.7515871184    +2.2252074513
 C         +4.3231418315    +1.4396740373    +3.5747793515
 H         -3.0523192378    +0.8263692142    -0.1002659623
 H         -3.9838295722    +1.3322804544    -2.9572089456
 H         -3.4364057166    +2.5655598205    -1.8117285987
 H         -3.2345196949    -1.5841465908    -0.7344697167
 H         -3.8637851315    -1.1164842333    -2.3160743465
 H         -5.9172889700    +2.4260365131    -1.8783654489
 H         -5.2998244791    +1.9921592056    -0.2846094170
 H         -5.1765948465    -0.4977191470    +0.3707682520
 H         -5.7172240792    -1.7152412532    -0.7859346560
 H         -7.0378750566    +0.3867308071    -0.9887702286
 H         -6.1484798618    +0.0392208287    -2.4712338447
 H         -1.7089167792    +0.6975884752    -2.6878351367
 H         +0.5469739858    +0.2971150430    -2.8537494424
 H         -1.5548516299    -0.4053135078    +0.8232709913
 H         +2.6126277237    -0.4992624947    -1.8201641680
 H         +0.5091853720    -1.1805877433    +1.8485296612
 H         +3.6388675245    -1.4822633752    -0.0234054439
 H         +3.0057884631    -1.6673018503    +3.3826416653
 H         +3.9491186977    +1.0772884423    +0.2332475947
 H         +3.7975593614    -0.0303376745    +5.0413960862
 H         +4.7505587769    +2.7061300394    +1.9008315404
 H         +4.6712907611    +2.1543071574    +4.3032181741
 H         +2.7816634479    -2.2510764746    +1.1860788941
*