72 E(PBEh-3c/C-PCM(DCM))=-1971.5272473808054 C -4.0976551952 2.3565405086 -2.8232667133 C -3.9176941062 0.9582313663 -2.7686134407 C -3.1910033792 0.3833558295 -1.7633884256 C -2.6131961704 1.1943959173 -0.7606612332 C -2.7975989160 2.5932740090 -0.8104730095 C -3.5508225626 3.1599823054 -1.8620448993 C -1.8551933470 0.6529798572 0.2902345760 C -2.2153175444 3.3641335405 0.2082449999 C -1.4895921491 2.7971845542 1.2170262476 N -1.3126341974 1.4209358638 1.2399823581 C -0.8814270664 3.5905538194 2.2716683227 C -1.6626798098 -0.7967460281 0.4603086094 C -2.4520948386 -1.5526651355 1.3478155495 C -2.2239687888 -2.9428536971 1.4415284299 C -1.2255341664 -3.4957214651 0.6236041192 C -0.5040245889 -2.7316593578 -0.2457097500 N -0.7356967517 -1.3656375379 -0.3181399725 C -3.4770889663 -0.9722121595 2.1273129970 C -4.2329883344 -1.7564408627 2.9552477551 C -4.0005074607 -3.1439147507 3.0524323019 C -3.0130600956 -3.7279133068 2.3090476867 O -0.6404675417 0.8923743270 2.1734562415 O -0.0625125920 -0.6681823033 -1.1327934686 C 0.4873741187 -3.3216229292 -1.1303915087 N 0.9528951269 -4.5664734057 -0.8658313005 C 1.0228296264 -2.9231910173 -2.3338973395 N 1.7660268366 -3.9724314518 -2.7154108270 N 1.7190837452 -4.9444855244 -1.8203636753 C 2.5039925046 -4.1528067163 -3.9557530730 C 3.3845966374 -2.9741674642 -4.2597461122 C 3.1118825719 -2.1568310251 -5.3490275944 C 3.9209970833 -1.0624333635 -5.6279141462 C 5.0071237353 -0.7787078012 -4.8140720406 C 5.2847382864 -1.5933121320 -3.7221405039 C 4.4783461798 -2.6861632053 -3.4473196813 N -1.0359658519 4.9376453450 2.2713737978 N -0.4093653823 5.4371765370 3.2707642921 N 0.1515678717 4.4413641999 3.9363264245 C -0.1041021706 3.2611598819 3.3579596613 C 1.0086547797 4.6859125991 5.0809785512 C 2.4361168391 4.3263387657 4.7669054025 C 3.1164013870 4.9940646750 3.7515613169 C 4.4209541739 4.6486672051 3.4386939204 C 5.0605392854 3.6321618667 4.1388790869 C 4.3879332879 2.9647609894 5.1511960356 C 3.0780886238 3.3098790194 5.4615466891 H -4.6744775414 2.7883782555 -3.6301872487 H -4.3597109675 0.3341263616 -3.5341149397 H -3.0732452918 -0.6921003262 -1.7317720469 H -3.6870430534 4.2334868208 -1.8935415731 H -2.3402331503 4.4383435526 0.2041767235 H -1.0357580590 -4.5605416426 0.6527940226 H -3.6819965734 0.0875482032 2.0559188947 H -5.0221572111 -1.3073443490 3.5433985975 H -4.6113827067 -3.7438984632 3.7136007495 H -2.8289456710 -4.7934110893 2.3678513304 H 0.9221552379 -2.0346660182 -2.9286091179 H 1.7913517329 -4.3217926545 -4.7641421650 H 3.0863192163 -5.0651731748 -3.8308796879 H 2.2623262651 -2.3760192030 -5.9851477792 H 3.6993592520 -0.4324804924 -6.4795509114 H 5.6380267668 0.0741988099 -5.0282597500 H 6.1332204025 -1.3770222458 -3.0861027946 H 4.7010145733 -3.3200564313 -2.5965589936 H 0.2743905922 2.3347914216 3.7451795966 H 0.6365189291 4.1063773371 5.9257655398 H 0.9027006111 5.7420071012 5.3264351153 H 2.6224907545 5.7842239042 3.1974072808 H 4.9401225267 5.1726100613 2.6466592296 H 6.0792019736 3.3619914411 3.8929278250 H 4.8776953308 2.1696029452 5.6980863096 H 2.5525691243 2.7798260621 6.2472623029