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	hartrees
Energy at 0K	-213.455361
Energy at 298.15K
HF Energy	-212.394346
Nuclear repulsion energy	189.623885

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.283	0.000
C2	0.017	0.516	1.210
C3	0.017	0.516	-1.210
C4	0.017	-0.369	2.438
C5	0.017	-0.369	-2.438
H6	-0.796	-0.884	0.000
H7	-0.830	1.211	1.253
H8	0.919	1.125	1.200
H9	-0.830	1.211	-1.253
H10	0.919	1.125	-1.200
H11	0.052	0.226	3.347
H12	-0.883	-0.979	2.474
H13	0.875	-1.034	2.420
H14	0.052	0.226	-3.347
H15	-0.883	-0.979	-2.474
H16	0.875	-1.034	-2.420

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4504	1.4504	2.4396	2.4396	1.0106	2.1263	2.0588	2.1263	2.0588	3.3854	2.7233	2.6752	3.3854	2.7233	2.6752
C2	1.4504		2.4198	1.5139	3.7538	2.0211	1.0966	1.0883	2.6953	2.6445	2.1566	2.1555	2.1459	4.5659	4.0768	4.0395
C3	1.4504	2.4198		3.7538	1.5139	2.0211	2.6953	2.6445	1.0966	1.0883	4.5659	4.0768	4.0395	2.1566	2.1555	2.1459
C4	2.4396	1.5139	3.7538		4.8762	2.6212	2.1495	2.1395	4.1031	4.0353	1.0865	1.0884	1.0858	5.8154	5.0313	4.9781
C5	2.4396	3.7538	1.5139	4.8762		2.6212	4.1031	4.0353	2.1495	2.1395	5.8154	5.0313	4.9781	1.0865	1.0884	1.0858
H6	1.0106	2.0211	2.0211	2.6212	2.6212		2.4411	2.9012	2.4411	2.9012	3.6264	2.4775	2.9447	3.6264	2.4775	2.9447
H7	2.1263	1.0966	2.6953	2.1495	4.1031	2.4411		1.7520	2.5051	3.0139	2.4768	2.5090	3.0518	4.7856	4.3233	4.6302
H8	2.0588	1.0883	2.6445	2.1395	4.0353	2.9012	1.7520		3.0139	2.4006	2.4833	3.0496	2.4806	4.7154	4.6021	4.2158
H9	2.1263	2.6953	1.0966	4.1031	2.1495	2.4411	2.5051	3.0139		1.7520	4.7856	4.3233	4.6302	2.4768	2.5090	3.0518
H10	2.0588	2.6445	1.0883	4.0353	2.1395	2.9012	3.0139	2.4006	1.7520		4.7154	4.6021	4.2158	2.4833	3.0496	2.4806
H11	3.3854	2.1566	4.5659	1.0865	5.8154	3.6264	2.4768	2.4833	4.7856	4.7154		1.7576	1.7674	6.6933	6.0175	5.9600
H12	2.7233	2.1555	4.0768	1.0884	5.0313	2.4775	2.5090	3.0496	4.3233	4.6021	1.7576		1.7596	6.0175	4.9483	5.2007
H13	2.6752	2.1459	4.0395	1.0858	4.9781	2.9447	3.0518	2.4806	4.6302	4.2158	1.7674	1.7596		5.9600	5.2007	4.8403
H14	3.3854	4.5659	2.1566	5.8154	1.0865	3.6264	4.7856	4.7154	2.4768	2.4833	6.6933	6.0175	5.9600		1.7576	1.7674
H15	2.7233	4.0768	2.1555	5.0313	1.0884	2.4775	4.3233	4.6021	2.5090	3.0496	6.0175	4.9483	5.2007	1.7576		1.7596
H16	2.6752	4.0395	2.1459	4.9781	1.0858	2.9447	4.6302	4.2158	3.0518	2.4806	5.9600	5.2007	4.8403	1.7674	1.7596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.755	N1	C2	H7	112.459
N1	C2	H8	107.524	N1	C3	C5	110.755
N1	C3	H9	112.459	N1	C3	H10	107.524
C2	N1	C3	113.067	C2	N1	H6	109.112
C2	C4	H11	110.996	C2	C4	H12	110.785
C2	C4	H13	110.184	C3	N1	H6	109.112
C3	C5	H14	110.996	C3	C5	H15	110.785
C3	C5	H16	110.184	C4	C2	H7	109.821
C4	C2	H8	109.523	C5	C3	H8	150.926
C5	C3	H10	109.523	H7	C2	H8	106.617
H9	C3	H10	106.617	H11	C4	H12	107.827
H11	C4	H13	108.902	H12	C4	H13	108.056
H14	C5	H15	107.827	H14	C5	H16	108.902
H15	C5	H16	108.056

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

using model chemistry: CCSD=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: CCSD=FULL/cc-pVTZ

States and conformations

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