Accuracy
Mo(NMe2)4
4803 Mo(NMe2)4, triplet
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Geometry predicted using PM7
ΔHf: 31.4 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
UHF TRIPLET PM7
Mo(NMe2)4, triplet
H=31.4 HR=NIST
Mo 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 2.06448510 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 2.06530878 +1 123.1807925 +1 0.0000000 +0 1 2 0
N 2.06624476 +1 103.3810941 +1 -117.8922912 +1 1 2 3
N 2.06594572 +1 104.9623179 +1 -129.5828395 +1 1 2 4
C 1.47060099 +1 116.9572718 +1 -67.4503698 +1 2 1 3
C 1.47093915 +1 116.8405617 +1 137.7769965 +1 2 1 6
C 1.47040542 +1 117.3659312 +1 65.8088372 +1 3 1 2
C 1.47079306 +1 117.2244116 +1 -138.6340405 +1 3 1 8
C 1.47087694 +1 116.5063722 +1 176.3355172 +1 4 1 2
C 1.47104782 +1 116.7711591 +1 137.0478159 +1 4 1 10
C 1.47063552 +1 117.2472517 +1 45.0960297 +1 5 1 2
C 1.47075974 +1 116.9381182 +1 138.0726481 +1 5 1 12
H 1.10155387 +1 113.6126207 +1 91.4804413 +1 6 2 1
H 1.10697538 +1 109.5752701 +1 -120.4539280 +1 6 2 14
H 1.10447889 +1 109.4003788 +1 -118.0068033 +1 6 2 15
H 1.10123116 +1 113.6799243 +1 -90.7142735 +1 7 2 1
H 1.10733468 +1 109.4388327 +1 120.5705388 +1 7 2 17
H 1.10441926 +1 109.4331236 +1 117.7956420 +1 7 2 18
H 1.10442535 +1 109.4923752 +1 148.3911138 +1 8 3 1
H 1.10721015 +1 109.4640801 +1 -117.8107141 +1 8 3 20
H 1.10132968 +1 113.5834798 +1 -120.6016251 +1 8 3 21
H 1.10437350 +1 109.4490754 +1 -147.1644463 +1 9 3 1
H 1.10700471 +1 109.5189583 +1 117.9537444 +1 9 3 23
H 1.10131834 +1 113.5736519 +1 120.4935949 +1 9 3 24
H 1.10697884 +1 109.6489232 +1 -29.5489978 +1 10 4 1
H 1.10141829 +1 113.6384689 +1 120.6144673 +1 10 4 26
H 1.10459020 +1 109.3165656 +1 121.4339585 +1 10 4 27
H 1.10702117 +1 109.5874456 +1 29.8584566 +1 11 4 1
H 1.10428749 +1 109.4116063 +1 118.0548004 +1 11 4 29
H 1.10154073 +1 113.5703014 +1 121.4671958 +1 11 4 30
H 1.10457554 +1 109.3915263 +1 -147.9252351 +1 12 5 1
H 1.10173127 +1 113.4754052 +1 -121.3395306 +1 12 5 32
H 1.10651301 +1 109.6823221 +1 -120.5565694 +1 12 5 33
H 1.10711946 +1 109.6133462 +1 30.2976316 +1 13 5 1
H 1.10152861 +1 113.5619728 +1 -120.6713772 +1 13 5 35
H 1.10453123 +1 109.3992480 +1 -121.4134865 +1 13 5 36