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	hartrees
Energy at 0K	-213.558962
Energy at 298.15K
HF Energy	-213.303522
Nuclear repulsion energy	188.495869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3527	3527	1.19
2	A'	3178	3178	45.32
3	A'	3156	3156	65.06
4	A'	3093	3093	61.31
5	A'	3081	3081	10.08
6	A'	2973	2973	165.88
7	A'	1567	1567	0.22
8	A'	1539	1539	2.06
9	A'	1530	1530	10.40
10	A'	1463	1463	2.72
11	A'	1427	1427	0.15
12	A'	1344	1344	3.79
13	A'	1259	1259	1.68
14	A'	1188	1188	13.00
15	A'	1076	1076	5.35
16	A'	921	921	8.48
17	A'	840	840	1.04
18	A'	789	789	78.32
19	A'	430	430	0.26
20	A'	267	267	1.09
21	A'	188	188	0.88
22	A'	112	112	1.25
23	A"	3178	3178	9.40
24	A"	3155	3155	17.24
25	A"	3089	3089	2.55
26	A"	3081	3081	27.47
27	A"	2968	2968	12.08
28	A"	1555	1555	4.45
29	A"	1539	1539	1.88
30	A"	1535	1535	9.86
31	A"	1505	1505	26.54
32	A"	1445	1445	9.79
33	A"	1383	1383	33.98
34	A"	1309	1309	3.42
35	A"	1181	1181	44.48
36	A"	1134	1134	10.83
37	A"	1085	1085	2.65
38	A"	960	960	0.37
39	A"	822	822	0.47
40	A"	432	432	0.49
41	A"	267	267	0.69
42	A"	115	115	1.18

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.283	0.000
C2	0.017	0.519	1.219
C3	0.017	0.519	-1.219
C4	0.017	-0.373	2.453
C5	0.017	-0.373	-2.453
H6	-0.808	-0.877	0.000
H7	-0.831	1.223	1.267
H8	0.924	1.132	1.210
H9	-0.831	1.223	-1.267
H10	0.924	1.132	-1.210
H11	0.058	0.224	3.366
H12	-0.889	-0.982	2.496
H13	0.875	-1.045	2.435
H14	0.058	0.224	-3.366
H15	-0.889	-0.982	-2.496
H16	0.875	-1.045	-2.435

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4586	1.4586	2.4549	2.4549	1.0171	2.1432	2.0705	2.1432	2.0705	3.4039	2.7464	2.6918	3.4039	2.7464	2.6918
C2	1.4586		2.4377	1.5225	3.7787	2.0283	1.1040	1.0946	2.7197	2.6643	2.1673	2.1692	2.1586	4.5942	4.1081	4.0657
C3	1.4586	2.4377		3.7787	1.5225	2.0283	2.7197	2.6643	1.1040	1.0946	4.5942	4.1081	4.0657	2.1673	2.1692	2.1586
C4	2.4549	1.5225	3.7787		4.9065	2.6370	2.1619	2.1518	4.1363	4.0628	1.0912	1.0931	1.0902	5.8497	5.0686	5.0081
C5	2.4549	3.7787	1.5225	4.9065		2.6370	4.1363	4.0628	2.1619	2.1518	5.8497	5.0686	5.0081	1.0912	1.0931	1.0902
H6	1.0171	2.0283	2.0283	2.6370	2.6370		2.4530	2.9153	2.4530	2.9153	3.6457	2.4999	2.9648	3.6457	2.4999	2.9648
H7	2.1432	1.1040	2.7197	2.1619	4.1363	2.4530		1.7582	2.5344	3.0374	2.4885	2.5256	3.0693	4.8221	4.3626	4.6650
H8	2.0705	1.0946	2.6643	2.1518	4.0628	2.9153	1.7582		3.0374	2.4204	2.4939	3.0675	2.4982	4.7448	4.6362	4.2459
H9	2.1432	2.7197	1.1040	4.1363	2.1619	2.4530	2.5344	3.0374		1.7582	4.8221	4.3626	4.6650	2.4885	2.5256	3.0693
H10	2.0705	2.6643	1.0946	4.0628	2.1518	2.9153	3.0374	2.4204	1.7582		4.7448	4.6362	4.2459	2.4939	3.0675	2.4982
H11	3.4039	2.1673	4.5942	1.0912	5.8497	3.6457	2.4885	2.4939	4.8221	4.7448		1.7630	1.7737	6.7315	6.0594	5.9938
H12	2.7464	2.1692	4.1081	1.0931	5.0686	2.4999	2.5256	3.0675	4.3626	4.6362	1.7630		1.7664	6.0594	4.9927	5.2376
H13	2.6918	2.1586	4.0657	1.0902	5.0081	2.9648	3.0693	2.4982	4.6650	4.2459	1.7737	1.7664		5.9938	5.2376	4.8696
H14	3.4039	4.5942	2.1673	5.8497	1.0912	3.6457	4.8221	4.7448	2.4885	2.4939	6.7315	6.0594	5.9938		1.7630	1.7737
H15	2.7464	4.1081	2.1692	5.0686	1.0931	2.4999	4.3626	4.6362	2.5256	3.0675	6.0594	4.9927	5.2376	1.7630		1.7664
H16	2.6918	4.0657	2.1586	5.0081	1.0902	2.9648	4.6650	4.2459	3.0693	2.4982	5.9938	5.2376	4.8696	1.7737	1.7664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.855	N1	C2	H7	112.787
N1	C2	H8	107.525	N1	C3	C5	110.855
N1	C3	H9	112.787	N1	C3	H10	107.525
C2	N1	C3	113.368	C2	N1	H6	108.714
C2	C4	H11	110.964	C2	C4	H12	110.999
C2	C4	H13	110.328	C3	N1	H6	108.714
C3	C5	H14	110.964	C3	C5	H15	110.999
C3	C5	H16	110.328	C4	C2	H7	109.771
C4	C2	H8	109.534	C5	C3	H8	150.918
C5	C3	H10	109.534	H7	C2	H8	106.202
H9	C3	H10	106.202	H11	C4	H12	107.638
H11	C4	H13	108.799	H12	C4	H13	108.010
H14	C5	H15	107.638	H14	C5	H16	108.799
H15	C5	H16	108.010

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

using model chemistry: B2PLYP=FULLultrafine/6-31G**

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=FULLultrafine/6-31G**

States and conformations

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