PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
n,n-diethylurea
1022 N,N-diethylurea
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ΔHf: -65.1 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.
PM7
N,N-diethylurea
H=-65.08 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 1.40469923 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.47035649 +1 120.6640468 +1 0.0000000 +0 2 1 0
C 1.47707504 +1 114.5916750 +1 -146.9612728 +1 2 1 3
N 1.39998741 +1 118.1225111 +1 -26.4965599 +1 1 2 3
H 0.99661210 +1 121.2384536 +1 -16.9205190 +1 5 1 2
H 1.00531746 +1 116.2783935 +1 -149.3563295 +1 5 1 6
O 1.21853510 +1 122.1543845 +1 -176.9996312 +1 1 2 5
H 1.11516242 +1 107.9217038 +1 67.1763934 +1 3 2 1
H 1.11531679 +1 108.0907787 +1 113.9740950 +1 3 2 9
C 1.53213453 +1 114.8775139 +1 122.8167659 +1 3 2 10
H 1.11172485 +1 107.9146106 +1 -163.3157043 +1 4 2 1
H 1.11975995 +1 107.3352818 +1 114.9730596 +1 4 2 12
C 1.53155739 +1 114.4347492 +1 121.3892061 +1 4 2 13
H 1.09591397 +1 111.6993769 +1 -63.0920322 +1 11 3 2
H 1.09798708 +1 111.9596661 +1 119.6504425 +1 11 3 15
H 1.09503549 +1 111.0790735 +1 120.2140164 +1 11 3 16
H 1.10036938 +1 110.6214801 +1 -55.5976233 +1 14 4 2
H 1.09296535 +1 112.2339691 +1 120.6626170 +1 14 4 18
H 1.09546098 +1 110.9299426 +1 120.7385578 +1 14 4 19