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	hartrees
Energy at 0K	-211.612320
Energy at 298.15K	-211.625065
HF Energy	-211.135832
Nuclear repulsion energy	186.174032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3399	3233	3.19
2	A'	3181	3026	36.81
3	A'	3155	3001	55.03
4	A'	3111	2959	36.17
5	A'	3087	2936	8.92
6	A'	2988	2843	130.86
7	A'	1625	1546	0.41
8	A'	1606	1528	2.89
9	A'	1595	1517	12.34
10	A'	1487	1415	5.57
11	A'	1460	1389	0.41
12	A'	1368	1302	1.46
13	A'	1290	1227	3.72
14	A'	1191	1133	6.67
15	A'	1032	982	0.25
16	A'	938	892	15.15
17	A'	866	824	5.04
18	A'	739	703	85.14
19	A'	422	402	0.32
20	A'	271	258	1.50
21	A'	186	177	1.22
22	A'	105	99	1.67
23	A"	3181	3026	6.05
24	A"	3154	3001	15.24
25	A"	3108	2957	1.36
26	A"	3086	2936	21.80
27	A"	2986	2840	6.77
28	A"	1616	1538	1.60
29	A"	1604	1526	3.51
30	A"	1597	1520	3.78
31	A"	1530	1456	9.06
32	A"	1485	1412	10.49
33	A"	1408	1340	32.41
34	A"	1351	1285	5.08
35	A"	1165	1108	2.18
36	A"	1133	1078	55.41
37	A"	1087	1034	3.36
38	A"	938	892	0.31
39	A"	856	814	1.15
40	A"	424	403	1.36
41	A"	268	255	1.00
42	A"	120	115	1.52

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.284	0.000
C2	0.017	0.541	1.246
C3	0.017	0.541	-1.246
C4	0.017	-0.388	2.478
C5	0.017	-0.388	-2.478
H6	-0.808	-0.898	0.000
H7	-0.835	1.244	1.302
H8	0.934	1.141	1.235
H9	-0.835	1.244	-1.302
H10	0.934	1.141	-1.235
H11	0.092	0.190	3.404
H12	-0.908	-0.976	2.512
H13	0.864	-1.075	2.406
H14	0.092	0.190	-3.404
H15	-0.908	-0.976	-2.512
H16	0.864	-1.075	-2.406

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4941	1.4941	2.4798	2.4798	1.0287	2.1802	2.0966	2.1802	2.0966	3.4378	2.7648	2.6709	3.4378	2.7648	2.6709
C2	1.4941		2.4913	1.5435	3.8376	2.0747	1.1055	1.0960	2.7764	2.7118	2.1883	2.1821	2.1627	4.6637	4.1566	4.0824
C3	1.4941	2.4913		3.8376	1.5435	2.0747	2.7764	2.7118	1.1055	1.0960	4.6637	4.1566	4.0824	2.1883	2.1821	2.1627
C4	2.4798	1.5435	3.8376		4.9551	2.6606	2.1846	2.1736	4.2040	4.1186	1.0951	1.0961	1.0930	5.9106	5.1083	5.0039
C5	2.4798	3.8376	1.5435	4.9551		2.6606	4.2040	4.1186	2.1846	2.1736	5.9106	5.1083	5.0039	1.0951	1.0961	1.0930
H6	1.0287	2.0747	2.0747	2.6606	2.6606		2.5066	2.9527	2.5066	2.9527	3.6857	2.5151	2.9357	3.6857	2.5151	2.9357
H7	2.1802	1.1055	2.7764	2.1846	4.2040	2.5066		1.7736	2.6037	3.0945	2.5279	2.5295	3.0795	4.9109	4.4134	4.6918
H8	2.0966	1.0960	2.7118	2.1736	4.1186	2.9527	1.7736		3.0945	2.4698	2.5136	3.0831	2.5070	4.8097	4.6812	4.2626
H9	2.1802	2.7764	1.1055	4.2040	2.1846	2.5066	2.6037	3.0945		1.7736	4.9109	4.4134	4.6918	2.5279	2.5295	3.0795
H10	2.0966	2.7118	1.0960	4.1186	2.1736	2.9527	3.0945	2.4698	1.7736		4.8097	4.6812	4.2626	2.5136	3.0831	2.5070
H11	3.4378	2.1883	4.6637	1.0951	5.9106	3.6857	2.5279	2.5136	4.9109	4.8097		1.7769	1.7867	6.8084	6.1124	5.9962
H12	2.7648	2.1821	4.1566	1.0961	5.1083	2.5151	2.5295	3.0831	4.4134	4.6812	1.7769		1.7781	6.1124	5.0238	5.2284
H13	2.6709	2.1627	4.0824	1.0930	5.0039	2.9357	3.0795	2.5070	4.6918	4.2626	1.7867	1.7781		5.9962	5.2284	4.8121
H14	3.4378	4.6637	2.1883	5.9106	1.0951	3.6857	4.9109	4.8097	2.5279	2.5136	6.8084	6.1124	5.9962		1.7769	1.7867
H15	2.7648	4.1566	2.1821	5.1083	1.0961	2.5151	4.4134	4.6812	2.5295	3.0831	6.1124	5.0238	5.2284	1.7769		1.7781
H16	2.6709	4.0824	2.1627	5.0039	1.0930	2.9357	4.6918	4.2626	3.0795	2.5070	5.9962	5.2284	4.8121	1.7867	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	109.432	N1	C2	H7	113.156
N1	C2	H8	107.084	N1	C3	C5	109.432
N1	C3	H9	113.156	N1	C3	H10	107.084
C2	N1	C3	112.962	C2	N1	H6	109.258
C2	C4	H11	110.915	C2	C4	H12	110.369
C2	C4	H13	109.033	C3	N1	H6	109.258
C3	C5	H14	110.915	C3	C5	H15	110.369
C3	C5	H16	109.033	C4	C2	H7	110.013
C4	C2	H8	109.712	C5	C3	H8	149.677
C5	C3	H10	109.712	H7	C2	H8	107.347
H9	C3	H10	107.347	H11	C4	H12	108.371
H11	C4	H13	109.482	H12	C4	H13	108.633
H14	C5	H15	108.371	H14	C5	H16	109.482
H15	C5	H16	108.633

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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