72 E(PBEh-3c/C-PCM(DCM))=-1971.5134845981784 C -4.7316717056 2.5550805056 0.0981181028 C -4.4444568550 1.3292271122 -0.5341100589 C -3.2939035725 0.6435041672 -0.2522309950 C -2.3731478500 1.1656538538 0.6846315729 C -2.6591220661 2.3976673843 1.3095640597 C -3.8530676860 3.0813748738 1.0053513990 C -1.1769294555 0.4969401562 1.0131670782 C -1.7089509566 2.8926117775 2.2217268327 C -0.5553851999 2.2238818952 2.4916607954 N -0.2958582292 1.0027908731 1.8810719146 C 0.4651797356 2.8042053586 3.3572810611 C -0.8361742775 -0.8036081608 0.4164684371 C -1.3703118901 -2.0181447550 0.8930408705 C -1.0547752574 -3.2145268443 0.2117476581 C -0.2344787103 -3.1150527968 -0.9281361054 C 0.2535185870 -1.9209144552 -1.3571881758 N -0.0434679944 -0.7547662220 -0.6606369681 C -2.2235935910 -2.0791086745 2.0176386157 C -2.7314247439 -3.2830358225 2.4267462710 C -2.4158668378 -4.4743762030 1.7439528196 C -1.5893662297 -4.4408725268 0.6541112405 O 0.7766358017 0.3944672711 2.1407760924 O 0.4340469715 0.3412943767 -1.0581626175 C 1.0635185232 -1.8107917799 -2.5657121652 N 0.7529908187 -1.0182995572 -3.6187387204 C 2.1512051299 -2.5694436398 -2.9145253424 N 2.4325409832 -2.1777245021 -4.1651851862 N 1.5806802051 -1.2485216573 -4.5698708751 C 3.4762197845 -2.6641279424 -5.0519601216 C 3.3128525777 -4.1288888579 -5.3531707198 C 4.2293791990 -5.0529613157 -4.8673039085 C 4.0736476334 -6.4074442210 -5.1352078424 C 2.9958447156 -6.8454852068 -5.8896268476 C 2.0752470400 -5.9254688976 -6.3784934403 C 2.2335368569 -4.5744113878 -6.1125608287 N 0.9958520739 2.2503875346 4.4697711179 N 1.7800604227 3.1054115398 5.0212224401 N 1.7722109941 4.2082740186 4.2886382726 C 0.9624048068 4.0744746603 3.2331199369 C 2.5785163643 5.3641640059 4.6478755792 C 1.8022707532 6.6310887240 4.4188995066 C 0.7060985028 6.9329545886 5.2235847602 C -0.0509675851 8.0671622271 4.9784448043 C 0.2811337810 8.9124360110 3.9258469947 C 1.3741916488 8.6197758596 3.1244556266 C 2.1307134255 7.4802942786 3.3700005360 H -5.6485955253 3.0773880871 -0.1397735000 H -5.1434755836 0.9247755960 -1.2543707716 H -3.0920956375 -0.2957484514 -0.7505338961 H -4.0602337693 4.0242030732 1.4955431473 H -1.8930450630 3.8316067486 2.7270223662 H -0.0070733055 -4.0029514126 -1.5045400108 H -2.4782555677 -1.1757252434 2.5559014546 H -3.3857366209 -3.3211190568 3.2875671742 H -2.8310646148 -5.4134518704 2.0844126746 H -1.3411899252 -5.3477576806 0.1167518573 H 2.7123257579 -3.3228107838 -2.3877023570 H 4.4453701067 -2.4675172219 -4.5933466959 H 3.4078761257 -2.0618569749 -5.9571429942 H 5.0718623021 -4.7145538482 -4.2757257145 H 4.7942816442 -7.1181936898 -4.7518384236 H 2.8720554378 -7.9001373137 -6.0991220522 H 1.2345525093 -6.2623517461 -6.9711318244 H 1.5141336889 -3.8617103784 -6.4995677827 H 0.8006876069 4.8414870629 2.4948733909 H 3.4945477324 5.3552926024 4.0563130107 H 2.8512490632 5.2391775854 5.6950318301 H 0.4382172974 6.2724618952 6.0403614715 H -0.9028392472 8.2922572766 5.6069859055 H -0.3129273447 9.7962545069 3.7323993061 H 1.6367541257 9.2731345692 2.3026343642 H 2.9775137642 7.2471610415 2.7352160922