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	hartrees
Energy at 0K	-213.364968
Energy at 298.15K
HF Energy	-212.386947
Nuclear repulsion energy	188.346905

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	-0.292	0.000
C2	0.018	0.518	1.218
C3	0.018	0.518	-1.218
C4	0.018	-0.368	2.457
C5	0.018	-0.368	-2.457
H6	-0.812	-0.881	0.000
H7	-0.839	1.214	1.256
H8	0.926	1.129	1.202
H9	-0.839	1.214	-1.256
H10	0.926	1.129	-1.202
H11	0.059	0.238	3.366
H12	-0.892	-0.976	2.500
H13	0.878	-1.040	2.439
H14	0.059	0.238	-3.366
H15	-0.892	-0.976	-2.500
H16	0.878	-1.040	-2.439

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4620	1.4620	2.4584	2.4584	1.0177	2.1392	2.0712	2.1392	2.0712	3.4076	2.7472	2.6927	3.4076	2.7472	2.6927
C2	1.4620		2.4351	1.5237	3.7800	2.0315	1.1041	1.0951	2.7082	2.6561	2.1670	2.1687	2.1585	4.5923	4.1086	4.0668
C3	1.4620	2.4351		3.7800	1.5237	2.0315	2.7082	2.6561	1.1041	1.0951	4.5923	4.1086	4.0668	2.1670	2.1687	2.1585
C4	2.4584	1.5237	3.7800		4.9144	2.6437	2.1632	2.1547	4.1257	4.0571	1.0931	1.0946	1.0918	5.8548	5.0768	5.0167
C5	2.4584	3.7800	1.5237	4.9144		2.6437	4.1257	4.0571	2.1632	2.1547	5.8548	5.0768	5.0167	1.0931	1.0946	1.0918
H6	1.0177	2.0315	2.0315	2.6437	2.6437		2.4424	2.9168	2.4424	2.9168	3.6524	2.5035	2.9721	3.6524	2.5035	2.9721
H7	2.1392	1.1041	2.7082	2.1632	4.1257	2.4424		1.7672	2.5113	3.0269	2.4924	2.5192	3.0704	4.8082	4.3480	4.6561
H8	2.0712	1.0951	2.6561	2.1547	4.0571	2.9168	1.7672		3.0269	2.4046	2.4957	3.0694	2.4975	4.7346	4.6310	4.2389
H9	2.1392	2.7082	1.1041	4.1257	2.1632	2.4424	2.5113	3.0269		1.7672	4.8082	4.3480	4.6561	2.4924	2.5192	3.0704
H10	2.0712	2.6561	1.0951	4.0571	2.1547	2.9168	3.0269	2.4046	1.7672		4.7346	4.6310	4.2389	2.4957	3.0694	2.4975
H11	3.4076	2.1670	4.5923	1.0931	5.8548	3.6524	2.4924	2.4957	4.8082	4.7346		1.7680	1.7781	6.7320	6.0656	6.0004
H12	2.7472	2.1687	4.1086	1.0946	5.0768	2.5035	2.5192	3.0694	4.3480	4.6310	1.7680		1.7726	6.0656	5.0008	5.2477
H13	2.6927	2.1585	4.0668	1.0918	5.0167	2.9721	3.0704	2.4975	4.6561	4.2389	1.7781	1.7726		6.0004	5.2477	4.8786
H14	3.4076	4.5923	2.1670	5.8548	1.0931	3.6524	4.8082	4.7346	2.4924	2.4957	6.7320	6.0656	6.0004		1.7680	1.7781
H15	2.7472	4.1086	2.1687	5.0768	1.0946	2.5035	4.3480	4.6310	2.5192	3.0694	6.0656	5.0008	5.2477	1.7680		1.7726
H16	2.6927	4.0668	2.1585	5.0167	1.0918	2.9721	4.6561	4.2389	3.0704	2.4975	6.0004	5.2477	4.8786	1.7781	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.835	N1	C2	H7	112.196
N1	C2	H8	107.316	N1	C3	C5	110.835
N1	C3	H9	112.196	N1	C3	H10	107.316
C2	N1	C3	112.776	C2	N1	H6	108.694
C2	C4	H11	110.740	C2	C4	H12	110.782
C2	C4	H13	110.133	C3	N1	H6	108.694
C3	C5	H14	110.740	C3	C5	H15	110.782
C3	C5	H16	110.133	C4	C2	H7	109.785
C4	C2	H8	109.641	C5	C3	H8	151.062
C5	C3	H10	109.641	H7	C2	H8	106.939
H9	C3	H10	106.939	H11	C4	H12	107.837
H11	C4	H13	108.942	H12	C4	H13	108.331
H14	C5	H15	107.837	H14	C5	H16	108.942
H15	C5	H16	108.331

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

using model chemistry: CCSD(T)=FULL/TZVP

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: CCSD(T)=FULL/TZVP

States and conformations

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