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	hartrees
Energy at 0K	-213.494801
Energy at 298.15K
HF Energy	-212.394045
Nuclear repulsion energy	189.286410

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.289	0.000
C2	0.017	0.518	1.211
C3	0.017	0.518	-1.211
C4	0.017	-0.368	2.442
C5	0.017	-0.368	-2.442
H6	-0.808	-0.879	0.000
H7	-0.831	1.215	1.252
H8	0.922	1.125	1.197
H9	-0.831	1.215	-1.252
H10	0.922	1.125	-1.197
H11	0.056	0.228	3.351
H12	-0.887	-0.976	2.479
H13	0.874	-1.037	2.420
H14	0.056	0.228	-3.351
H15	-0.887	-0.976	-2.479
H16	0.874	-1.037	-2.420

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4554	1.4554	2.4431	2.4431	1.0144	2.1330	2.0620	2.1330	2.0620	3.3913	2.7262	2.6743	3.3913	2.7262	2.6743
C2	1.4554		2.4226	1.5160	3.7589	2.0244	1.0988	1.0901	2.6970	2.6434	2.1600	2.1573	2.1478	4.5722	4.0821	4.0424
C3	1.4554	2.4226		3.7589	1.5160	2.0244	2.6970	2.6434	1.0988	1.0901	4.5722	4.0821	4.0424	2.1600	2.1573	2.1478
C4	2.4431	1.5160	3.7589		4.8836	2.6277	2.1543	2.1444	4.1072	4.0359	1.0881	1.0899	1.0872	5.8240	5.0396	4.9823
C5	2.4431	3.7589	1.5160	4.8836		2.6277	4.1072	4.0359	2.1543	2.1444	5.8240	5.0396	4.9823	1.0881	1.0899	1.0872
H6	1.0144	2.0244	2.0244	2.6277	2.6277		2.4396	2.9056	2.4396	2.9056	3.6337	2.4818	2.9519	3.6337	2.4818	2.9519
H7	2.1330	1.0988	2.6970	2.1543	4.1072	2.4396		1.7563	2.5040	3.0130	2.4838	2.5117	3.0568	4.7909	4.3268	4.6331
H8	2.0620	1.0901	2.6434	2.1444	4.0359	2.9056	1.7563		3.0130	2.3938	2.4896	3.0544	2.4849	4.7163	4.6039	4.2146
H9	2.1330	2.6970	1.0988	4.1072	2.1543	2.4396	2.5040	3.0130		1.7563	4.7909	4.3268	4.6331	2.4838	2.5117	3.0568
H10	2.0620	2.6434	1.0901	4.0359	2.1444	2.9056	3.0130	2.3938	1.7563		4.7163	4.6039	4.2146	2.4896	3.0544	2.4849
H11	3.3913	2.1600	4.5722	1.0881	5.8240	3.6337	2.4838	2.4896	4.7909	4.7163		1.7605	1.7708	6.7030	6.0273	5.9652
H12	2.7262	2.1573	4.0821	1.0899	5.0396	2.4818	2.5117	3.0544	4.3268	4.6039	1.7605		1.7626	6.0273	4.9573	5.2062
H13	2.6743	2.1478	4.0424	1.0872	4.9823	2.9519	3.0568	2.4849	4.6331	4.2146	1.7708	1.7626		5.9652	5.2062	4.8409
H14	3.3913	4.5722	2.1600	5.8240	1.0881	3.6337	4.7909	4.7163	2.4838	2.4896	6.7030	6.0273	5.9652		1.7605	1.7708
H15	2.7262	4.0821	2.1573	5.0396	1.0899	2.4818	4.3268	4.6039	2.5117	3.0544	6.0273	4.9573	5.2062	1.7605		1.7626
H16	2.6743	4.0424	2.1478	4.9823	1.0872	2.9519	4.6331	4.2146	3.0568	2.4849	5.9652	5.2062	4.8409	1.7708	1.7626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.591	N1	C2	H7	112.500
N1	C2	H8	107.333	N1	C3	C5	110.591
N1	C3	H9	112.500	N1	C3	H10	107.333
C2	N1	C3	112.668	C2	N1	H6	108.790
C2	C4	H11	111.021	C2	C4	H12	110.689
C2	C4	H13	110.094	C3	N1	H6	108.790
C3	C5	H14	111.021	C3	C5	H15	110.689
C3	C5	H16	110.094	C4	C2	H7	109.922
C4	C2	H8	109.653	C5	C3	H8	150.890
C5	C3	H10	109.653	H7	C2	H8	106.708
H9	C3	H10	106.708	H11	C4	H12	107.860
H11	C4	H13	108.985	H12	C4	H13	108.107
H14	C5	H15	107.860	H14	C5	H16	108.985
H15	C5	H16	108.107

All results from a given calculation for NH(C₂H₅)₂ (diethylamine)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for NH(C2H5)2 (diethylamine)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

All results from a given calculation for NH(C₂H₅)₂ (diethylamine)