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	hartrees
Energy at 0K	-213.634579
Energy at 298.15K
HF Energy	-213.345548
Nuclear repulsion energy	188.413976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3512	3512	0.43
2	A'	3140	3140	48.74
3	A'	3119	3119	75.43
4	A'	3064	3064	55.23
5	A'	3051	3051	12.57
6	A'	2946	2946	182.70
7	A'	1545	1545	1.34
8	A'	1518	1518	2.71
9	A'	1505	1505	14.66
10	A'	1443	1443	3.59
11	A'	1410	1410	1.18
12	A'	1333	1333	4.48
13	A'	1247	1247	1.31
14	A'	1177	1177	11.65
15	A'	1068	1068	6.58
16	A'	914	914	7.40
17	A'	836	836	0.89
18	A'	790	790	71.98
19	A'	427	427	0.21
20	A'	264	264	0.76
21	A'	186	186	0.68
22	A'	109	109	1.24
23	A"	3140	3140	11.80
24	A"	3119	3119	18.19
25	A"	3061	3061	2.14
26	A"	3050	3050	31.49
27	A"	2942	2942	12.67
28	A"	1534	1534	5.04
29	A"	1519	1519	4.57
30	A"	1513	1513	12.36
31	A"	1492	1492	15.64
32	A"	1423	1423	13.99
33	A"	1371	1371	25.96
34	A"	1298	1298	4.05
35	A"	1171	1171	51.01
36	A"	1125	1125	9.79
37	A"	1077	1077	1.74
38	A"	953	953	0.48
39	A"	819	819	0.30
40	A"	429	429	0.57
41	A"	263	263	0.74
42	A"	108	108	1.21

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.280	0.000
C2	0.017	0.520	1.220
C3	0.017	0.520	-1.220
C4	0.017	-0.374	2.454
C5	0.017	-0.374	-2.454
H6	-0.807	-0.874	0.000
H7	-0.835	1.221	1.267
H8	0.924	1.134	1.213
H9	-0.835	1.221	-1.267
H10	0.924	1.134	-1.213
H11	0.074	0.220	3.368
H12	-0.896	-0.974	2.502
H13	0.868	-1.056	2.423
H14	0.074	0.220	-3.368
H15	-0.896	-0.974	-2.502
H16	0.868	-1.056	-2.423

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4594	1.4594	2.4555	2.4555	1.0161	2.1415	2.0720	2.1415	2.0720	3.4058	2.7522	2.6830	3.4058	2.7522	2.6830
C2	1.4594		2.4407	1.5234	3.7813	2.0280	1.1043	1.0948	2.7214	2.6682	2.1695	2.1699	2.1578	4.5988	4.1135	4.0601
C3	1.4594	2.4407		3.7813	1.5234	2.0280	2.7214	2.6682	1.1043	1.0948	4.5988	4.1135	4.0601	2.1695	2.1699	2.1578
C4	2.4555	1.5234	3.7813		4.9075	2.6365	2.1627	2.1530	4.1372	4.0670	1.0921	1.0939	1.0912	5.8526	5.0747	4.9975
C5	2.4555	3.7813	1.5234	4.9075		2.6365	4.1372	4.0670	2.1627	2.1530	5.8526	5.0747	4.9975	1.0921	1.0939	1.0912
H6	1.0161	2.0280	2.0280	2.6365	2.6365		2.4486	2.9155	2.4486	2.9155	3.6495	2.5054	2.9518	3.6495	2.5054	2.9518
H7	2.1415	1.1043	2.7214	2.1627	4.1372	2.4486		1.7615	2.5347	3.0416	2.4981	2.5187	3.0696	4.8286	4.3620	4.6590
H8	2.0720	1.0948	2.6682	2.1530	4.0670	2.9155	1.7615		3.0416	2.4258	2.4907	3.0686	2.5031	4.7482	4.6427	4.2453
H9	2.1415	2.7214	1.1043	4.1372	2.1627	2.4486	2.5347	3.0416		1.7615	4.8286	4.3620	4.6590	2.4981	2.5187	3.0696
H10	2.0720	2.6682	1.0948	4.0670	2.1530	2.9155	3.0416	2.4258	1.7615		4.7482	4.6427	4.2453	2.4907	3.0686	2.5031
H11	3.4058	2.1695	4.5988	1.0921	5.8526	3.6495	2.4981	2.4907	4.8286	4.7482		1.7655	1.7760	6.7366	6.0684	5.9836
H12	2.7522	2.1699	4.1135	1.0939	5.0747	2.5054	2.5187	3.0686	4.3620	4.6427	1.7655		1.7683	6.0684	5.0037	5.2324
H13	2.6830	2.1578	4.0601	1.0912	4.9975	2.9518	3.0696	2.5031	4.6590	4.2453	1.7760	1.7683		5.9836	5.2324	4.8466
H14	3.4058	4.5988	2.1695	5.8526	1.0921	3.6495	4.8286	4.7482	2.4981	2.4907	6.7366	6.0684	5.9836		1.7655	1.7760
H15	2.7522	4.1135	2.1699	5.0747	1.0939	2.5054	4.3620	4.6427	2.5187	3.0686	6.0684	5.0037	5.2324	1.7655		1.7683
H16	2.6830	4.0601	2.1578	4.9975	1.0912	2.9518	4.6590	4.2453	3.0696	2.5031	5.9836	5.2324	4.8466	1.7760	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.804	N1	C2	H7	112.558
N1	C2	H8	107.576	N1	C3	C5	110.804
N1	C3	H9	112.558	N1	C3	H10	107.576
C2	N1	C3	113.481	C2	N1	H6	108.693
C2	C4	H11	111.017	C2	C4	H12	110.939
C2	C4	H13	110.140	C3	N1	H6	108.693
C3	C5	H14	111.017	C3	C5	H15	110.939
C3	C5	H16	110.140	C4	C2	H7	109.753
C4	C2	H8	109.554	C5	C3	H8	150.863
C5	C3	H10	109.554	H7	C2	H8	106.449
H9	C3	H10	106.449	H11	C4	H12	107.727
H11	C4	H13	108.872	H12	C4	H13	108.051
H14	C5	H15	107.727	H14	C5	H16	108.872
H15	C5	H16	108.051

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

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

States and conformations

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