! 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         +4.7728917021    -1.7939762371    +3.3802774775
 N         +8.1107235144    -4.3697363791    -0.3247235288
 C         +2.7602460130    -0.8145863130    +4.2645836593
 C         +3.8113104898    -0.7288138641    +3.1538701756
 C         +1.5875716203    +0.1665061098    +4.1371587961
 C         +4.5197007388    +0.6267601857    +3.1195468236
 C         +0.7983084582    -0.0502361517    +2.8483934886
 C         +0.6667439985    -0.0001618054    +5.3451345858
 C         +5.5726370114    -2.3742138141    +2.4692242864
 C         +5.5085858425    -2.0817269586    +1.0932111261
 C         +6.5064262563    -3.3448481790    +2.8898973444
 C         +7.2213157199    -3.6906363720    +0.6397358136
 C         +6.3226245940    -2.7336271457    +0.1952184012
 C         +7.3184184764    -3.9920471261    +1.9924307107
 C         +9.5163600933    -3.9486972984    -0.1782924868
 C         +10.4449965016    -4.8410071918    +0.3265414422
 C         +9.8701161243    -2.6540737224    -0.5191816739
 C         +11.7580846895    -4.4277352883    +0.4872196409
 C         +11.1844998102    -2.2517058209    -0.3550246571
 C         +12.1256291205    -3.1367912915    +0.1467184221
 H         +2.3592587173    -1.8315399802    +4.2773735429
 H         +3.2551942249    -0.6375133427    +5.2233598755
 H         +3.3275035039    -0.9165373754    +2.1911835489
 H         +1.9764817062    +1.1890069200    +4.1453742323
 H         +3.8290310692    +1.4094334996    +2.8227622714
 H         +5.3420879604    +0.6060487636    +2.4075992311
 H         +4.9196762967    +0.8696418728    +4.1010836062
 H         -0.0860005899    +0.5815347224    +2.8447949097
 H         +0.4754019461    -1.0861279841    +2.7691086036
 H         +1.3882950867    +0.1998818488    +1.9701093862
 H         +1.2100086339    +0.1648968773    +6.2725469832
 H         -0.1511746560    +0.7136968263    +5.2992041820
 H         +0.2442064589    -1.0022406460    +5.3668605012
 H         +4.8175694469    -1.3419366903    +0.7276949710
 H         +6.5772568997    -3.5822908476    +3.9398602046
 H         +6.2503907678    -2.4965441524    -0.8568659218
 H         +8.0281145273    -4.7283477418    +2.3376083498
 H         +7.7754075894    -4.1486445628    -1.2707925132
 H         +10.1575825357    -5.8491153272    +0.5884452069
 H         +9.1301071889    -1.9679824133    -0.9017602939
 H         +12.4895825877    -5.1172037482    +0.8770324836
 H         +11.4711504569    -1.2468683851    -0.6204650489
 H         +13.1483199233    -2.8191711502    +0.2722104122
 H         +4.9571413004    -2.0089598455    +4.3487824752
 H         +8.0609586249    -5.3875874698    -0.1882540279
*