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	hartrees
Energy at 0K	-213.271421
Energy at 298.15K
HF Energy	-212.343262
Nuclear repulsion energy	188.575575

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.288	0.000
C2	0.017	0.521	1.214
C3	0.017	0.521	-1.214
C4	0.017	-0.372	2.450
C5	0.017	-0.372	-2.450
H6	-0.816	-0.868	0.000
H7	-0.832	1.223	1.258
H8	0.926	1.133	1.204
H9	-0.832	1.223	-1.258
H10	0.926	1.133	-1.204
H11	0.054	0.225	3.364
H12	-0.888	-0.985	2.488
H13	0.879	-1.043	2.432
H14	0.054	0.225	-3.364
H15	-0.888	-0.985	-2.488
H16	0.879	-1.043	-2.432

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4587	1.4587	2.4512	2.4512	1.0153	2.1418	2.0720	2.1418	2.0720	3.4033	2.7383	2.6879	3.4033	2.7383	2.6879
C2	1.4587		2.4282	1.5244	3.7710	2.0240	1.1034	1.0955	2.7065	2.6543	2.1707	2.1706	2.1607	4.5880	4.0982	4.0593
C3	1.4587	2.4282		3.7710	1.5244	2.0240	2.7065	2.6543	1.1034	1.0955	4.5880	4.0982	4.0593	2.1707	2.1706	2.1607
C4	2.4512	1.5244	3.7710		4.8995	2.6347	2.1653	2.1549	4.1246	4.0544	1.0926	1.0944	1.0917	5.8447	5.0577	5.0020
C5	2.4512	3.7710	1.5244	4.8995		2.6347	4.1246	4.0544	2.1653	2.1549	5.8447	5.0577	5.0020	1.0926	1.0944	1.0917
H6	1.0153	2.0240	2.0240	2.6347	2.6347		2.4404	2.9131	2.4404	2.9131	3.6427	2.4921	2.9690	3.6427	2.4921	2.9690
H7	2.1418	1.1034	2.7065	2.1653	4.1246	2.4404		1.7610	2.5153	3.0259	2.4941	2.5289	3.0725	4.8109	4.3489	4.6555
H8	2.0720	1.0955	2.6543	2.1549	4.0544	2.9131	1.7610		3.0259	2.4073	2.5005	3.0705	2.4990	4.7382	4.6269	4.2370
H9	2.1418	2.7065	1.1034	4.1246	2.1653	2.4404	2.5153	3.0259		1.7610	4.8109	4.3489	4.6555	2.4941	2.5289	3.0725
H10	2.0720	2.6543	1.0955	4.0544	2.1549	2.9131	3.0259	2.4073	1.7610		4.7382	4.6269	4.2370	2.5005	3.0705	2.4990
H11	3.4033	2.1707	4.5880	1.0926	5.8447	3.6427	2.4941	2.5005	4.8109	4.7382		1.7662	1.7765	6.7285	6.0502	5.9899
H12	2.7383	2.1706	4.0982	1.0944	5.0577	2.4921	2.5289	3.0705	4.3489	4.6269	1.7662		1.7688	6.0502	4.9766	5.2279
H13	2.6879	2.1607	4.0593	1.0917	5.0020	2.9690	3.0725	2.4990	4.6555	4.2370	1.7765	1.7688		5.9899	5.2279	4.8633
H14	3.4033	4.5880	2.1707	5.8447	1.0926	3.6427	4.8109	4.7382	2.4941	2.5005	6.7285	6.0502	5.9899		1.7662	1.7765
H15	2.7383	4.0982	2.1706	5.0577	1.0944	2.4921	4.3489	4.6269	2.5289	3.0705	6.0502	4.9766	5.2279	1.7662		1.7688
H16	2.6879	4.0593	2.1607	5.0020	1.0917	2.9690	4.6555	4.2370	3.0725	2.4990	5.9899	5.2279	4.8633	1.7765	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.491	N1	C2	H7	112.696
N1	C2	H8	107.577	N1	C3	C5	110.491
N1	C3	H9	112.696	N1	C3	H10	107.577
C2	N1	C3	112.677	C2	N1	H6	108.465
C2	C4	H11	111.009	C2	C4	H12	110.893
C2	C4	H13	110.262	C3	N1	H6	108.465
C3	C5	H14	111.009	C3	C5	H15	110.893
C3	C5	H16	110.262	C4	C2	H7	109.933
C4	C2	H8	109.583	C5	C3	H8	150.865
C5	C3	H10	109.583	H7	C2	H8	106.419
H9	C3	H10	106.419	H11	C4	H12	107.726
H11	C4	H13	108.835	H12	C4	H13	108.017
H14	C5	H15	107.726	H14	C5	H16	108.835
H15	C5	H16	108.017

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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