! DMA moments for XIII ! ! XIII MP2/6-31G(d,p) optimised ! SP RPBE1PBE Gen C1 2.2744894900 -0.6309398720 0.0000000000 Rank 4 Type C1 -0.4377851649 0.0000000000 -0.8075391695 -0.4047911415 -0.6935311647 0.0000000000 0.0000000000 -0.5531816885 -0.7553401611 0.0000000000 -0.6336533543 -0.3220593544 0.0000000000 0.0000000000 -0.0193600451 1.2392014138 1.8024482201 0.0000000000 -0.0000000002 -2.3651241242 -3.8218226809 -0.0000000001 -0.0000000001 -1.3599055049 3.5178213133 C2 2.2936966700 -3.2660949400 0.0000000000 Rank 4 Type C2 -0.3869230968 0.0000000000 -0.6656095134 0.2596200160 -0.7206086171 0.0000000000 0.0000000001 -0.5932489788 0.5145419834 0.0000000001 -0.0746879334 0.0570708476 0.0000000003 0.0000000001 -0.3131247746 -1.2155512699 0.8830196378 0.0000000001 0.0000000000 -1.9361727010 2.6905636393 0.0000000012 -0.0000000004 -0.5385610451 -2.7329182694 C3 0.0000000000 0.7411675970 0.0000000000 Rank 4 Type C3 -0.3410524823 0.0000000000 -0.0007424717 -0.6416898658 -0.7818299042 0.0000000000 0.0000000000 0.4791543722 -0.0002648973 0.0000000000 0.0001127468 -0.2158011838 0.0000000001 0.0000000000 -0.0039800861 -1.5277698336 0.8888248151 -0.0000000001 -0.0000000002 1.9941574757 -0.0025318457 0.0000000000 0.0000000001 2.5843139024 -0.0095081735 C4 -2.2752623900 -0.6267957020 0.0000000000 Rank 4 Type C1 -0.4377539833 0.0000000000 0.8070353745 -0.4057526884 -0.6936441293 0.0000000000 0.0000000000 -0.5506587957 0.7579073986 0.0000000000 0.6325089877 -0.3239843307 0.0000000000 0.0000000000 0.0260000681 1.2380006825 1.8026992303 0.0000000000 0.0000000000 -2.3514715019 3.8312804790 0.0000000000 0.0000000000 -1.3820090958 -3.5078755306 C5 -2.2994603300 -3.2629655500 0.0000000000 Rank 4 Type C2 -0.3869104482 0.0000000000 0.6662003140 0.2582569607 -0.7206896113 0.0000000000 0.0000000000 -0.5943534242 -0.5123105250 0.0000000000 0.0745759828 0.0577410994 -0.0000000001 0.0000000001 0.3054801449 -1.2177798514 0.8825231110 -0.0000000005 -0.0000000002 -1.9466842594 -2.6837409816 0.0000000005 0.0000000000 -0.5140118302 2.7407977607 C6 -0.0041385002 -4.5285113600 0.0000000000 Rank 4 Type C6 0.1387786522 0.0000000000 -0.0001147076 -0.1432403218 -0.9293707876 0.0000000000 0.0000000000 -0.1717730979 0.0000122221 -0.0000000001 0.0001855700 -0.8858337845 0.0000000000 0.0000000000 0.0025467802 1.1871628528 -1.5134055466 0.0000000001 0.0000000000 -0.6146878110 0.0003214347 0.0000000000 0.0000000001 -0.3878079302 0.0015142379 BR1 -5.4318382500 1.0606938300 0.0000000000 Rank 4 Type BR 0.4504235758 0.0000000000 0.9224773927 -0.4020005355 -1.4284912561 0.0000000000 0.0000000000 1.3974800740 -2.0606827954 0.0000000000 0.5736212385 -0.7048539042 0.0000000000 0.0000000000 -0.7560553213 0.9583590897 -2.3014633424 -0.0000000002 -0.0000000002 0.6256634760 -1.3204152221 -0.0000000001 -0.0000000003 2.0782912083 3.7712091769 BR2 5.4338356900 1.0507954400 0.0000000000 Rank 4 Type BR 0.4505565996 0.0000000000 -0.9231738566 -0.4005433083 -1.4283657244 0.0000000000 0.0000000000 1.4049119610 2.0556649536 0.0000000000 -0.5749943493 -0.7038618507 -0.0000000001 0.0000000000 0.7611546466 0.9543051490 -2.3012155082 0.0000000003 -0.0000000003 0.6301144221 1.3174208307 -0.0000000005 0.0000000001 2.0517446318 -3.7856143753 CL 0.0031822988 3.9930517900 0.0000000000 Rank 4 Type CL 0.2694358569 0.0000000000 -0.0006917825 -0.7425223331 -0.8403125139 0.0000000000 0.0000000001 -2.2884127855 0.0043371499 -0.0000000002 -0.0004907853 -0.4389724070 -0.0000000001 0.0000000000 -0.0010742452 -0.3957316287 -1.1559982988 -0.0000000001 0.0000000005 -0.1250551451 0.0004742085 -0.0000000002 0.0000000003 -7.9322448097 0.0279425919 F -0.0057750031 -7.0812460200 0.0000000000 Rank 4 Type F -0.2434967305 0.0000000000 0.0000195015 0.1911825051 -0.1721313894 0.0000000000 0.0000000000 -0.8776588727 0.0010956879 0.0000000001 0.0003298046 -0.2118491535 -0.0000000001 -0.0000000001 -0.0017590665 -0.5508017125 -0.8840361498 0.0000000007 0.0000000000 1.2784168980 -0.0010695709 -0.0000000011 0.0000000001 -3.2913025251 0.0081151232 H1 -4.0567355600 -4.3006009400 0.0000000000 Rank 1 Type H 0.4623371851 0.0000000000 0.1575970698 0.0881242737 H2 4.0488043800 -4.3074058400 0.0000000000 Rank 1 Type H 0.4623422310 0.0000000000 -0.1574310657 0.0884140253