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	hartrees
Energy at 0K	-213.597274
Energy at 298.15K	-213.610025
HF Energy	-213.329285
Nuclear repulsion energy	188.453177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3508	3508	2.14
2	A'	3145	3145	56.41
3	A'	3123	3123	86.56
4	A'	3075	3075	53.52
5	A'	3057	3057	15.81
6	A'	2953	2953	194.98
7	A'	1561	1561	2.37
8	A'	1535	1535	3.18
9	A'	1525	1525	16.95
10	A'	1454	1454	4.25
11	A'	1424	1424	1.30
12	A'	1348	1348	4.55
13	A'	1256	1256	1.45
14	A'	1182	1182	12.94
15	A'	1072	1072	7.09
16	A'	920	920	8.95
17	A'	840	840	2.19
18	A'	792	792	74.90
19	A'	430	430	0.23
20	A'	265	265	0.94
21	A'	189	189	0.74
22	A'	113	113	1.41
23	A"	3144	3144	11.83
24	A"	3123	3123	20.89
25	A"	3071	3071	1.85
26	A"	3056	3056	35.37
27	A"	2948	2948	12.13
28	A"	1550	1550	3.75
29	A"	1541	1541	7.80
30	A"	1530	1530	11.10
31	A"	1511	1511	15.58
32	A"	1439	1439	16.05
33	A"	1381	1381	24.89
34	A"	1309	1309	5.06
35	A"	1172	1172	51.78
36	A"	1133	1133	10.51
37	A"	1083	1083	1.85
38	A"	956	956	0.45
39	A"	820	820	0.35
40	A"	432	432	0.57
41	A"	266	266	0.80
42	A"	114	114	1.32

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.285	0.000
C2	0.017	0.518	1.219
C3	0.017	0.518	-1.219
C4	0.017	-0.371	2.454
C5	0.017	-0.371	-2.454
H6	-0.809	-0.876	0.000
H7	-0.834	1.221	1.262
H8	0.923	1.133	1.209
H9	-0.834	1.221	-1.262
H10	0.923	1.133	-1.209
H11	0.077	0.224	3.368
H12	-0.896	-0.970	2.510
H13	0.866	-1.056	2.426
H14	0.077	0.224	-3.368
H15	-0.896	-0.970	-2.510
H16	0.866	-1.056	-2.426

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4594	1.4594	2.4557	2.4557	1.0160	2.1409	2.0716	2.1409	2.0716	3.4062	2.7577	2.6836	3.4062	2.7577	2.6836
C2	1.4594		2.4373	1.5226	3.7791	2.0278	1.1042	1.0943	2.7153	2.6632	2.1698	2.1720	2.1579	4.5960	4.1174	4.0599
C3	1.4594	2.4373		3.7791	1.5226	2.0278	2.7153	2.6632	1.1042	1.0943	4.5960	4.1174	4.0599	2.1698	2.1720	2.1579
C4	2.4557	1.5226	3.7791		4.9084	2.6382	2.1631	2.1522	4.1318	4.0625	1.0919	1.0936	1.0907	5.8524	5.0830	5.0008
C5	2.4557	3.7791	1.5226	4.9084		2.6382	4.1318	4.0625	2.1631	2.1522	5.8524	5.0830	5.0008	1.0919	1.0936	1.0907
H6	1.0160	2.0278	2.0278	2.6382	2.6382		2.4476	2.9149	2.4476	2.9149	3.6517	2.5134	2.9537	3.6517	2.5134	2.9537
H7	2.1409	1.1042	2.7153	2.1631	4.1318	2.4476		1.7595	2.5247	3.0335	2.5009	2.5218	3.0701	4.8227	4.3628	4.6558
H8	2.0716	1.0943	2.6632	2.1522	4.0625	2.9149	1.7595		3.0335	2.4187	2.4897	3.0696	2.5046	4.7422	4.6438	4.2438
H9	2.1409	2.7153	1.1042	4.1318	2.1631	2.4476	2.5247	3.0335		1.7595	4.8227	4.3628	4.6558	2.5009	2.5218	3.0701
H10	2.0716	2.6632	1.0943	4.0625	2.1522	2.9149	3.0335	2.4187	1.7595		4.7422	4.6438	4.2438	2.4897	3.0696	2.5046
H11	3.4062	2.1698	4.5960	1.0919	5.8524	3.6517	2.5009	2.4897	4.8227	4.7422		1.7630	1.7738	6.7350	6.0761	5.9856
H12	2.7577	2.1720	4.1174	1.0936	5.0830	2.5134	2.5218	3.0696	4.3628	4.6438	1.7630		1.7665	6.0761	5.0202	5.2422
H13	2.6836	2.1579	4.0599	1.0907	5.0008	2.9537	3.0701	2.5046	4.6558	4.2438	1.7738	1.7665		5.9856	5.2422	4.8525
H14	3.4062	4.5960	2.1698	5.8524	1.0919	3.6517	4.8227	4.7422	2.5009	2.4897	6.7350	6.0761	5.9856		1.7630	1.7738
H15	2.7577	4.1174	2.1720	5.0830	1.0936	2.5134	4.3628	4.6438	2.5218	3.0696	6.0761	5.0202	5.2422	1.7630		1.7665
H16	2.6836	4.0599	2.1579	5.0008	1.0907	2.9537	4.6558	4.2438	3.0701	2.5046	5.9856	5.2422	4.8525	1.7738	1.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.860	N1	C2	H7	112.519
N1	C2	H8	107.571	N1	C3	C5	110.860
N1	C3	H9	112.519	N1	C3	H10	107.571
C2	N1	C3	113.234	C2	N1	H6	108.685
C2	C4	H11	111.108	C2	C4	H12	111.182
C2	C4	H13	110.229	C3	N1	H6	108.685
C3	C5	H14	111.108	C3	C5	H15	111.182
C3	C5	H16	110.229	C4	C2	H7	109.846
C4	C2	H8	109.572	C5	C3	H8	151.005
C5	C3	H10	109.572	H7	C2	H8	106.317
H9	C3	H10	106.317	H11	C4	H12	107.547
H11	C4	H13	108.719	H12	C4	H13	107.943
H14	C5	H15	107.547	H14	C5	H16	108.719
H15	C5	H16	107.943

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

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

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