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	hartrees
Energy at 0K	-213.597265
Energy at 298.15K
HF Energy	-213.329274
Nuclear repulsion energy	188.431666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3508	3508	2.16
2	A'	3144	3144	56.80
3	A'	3123	3123	86.67
4	A'	3075	3075	52.99
5	A'	3056	3056	15.82
6	A'	2952	2952	194.75
7	A'	1560	1560	2.40
8	A'	1535	1535	3.20
9	A'	1525	1525	16.87
10	A'	1454	1454	4.21
11	A'	1424	1424	1.35
12	A'	1348	1348	4.59
13	A'	1256	1256	1.44
14	A'	1182	1182	12.89
15	A'	1072	1072	7.11
16	A'	920	920	8.92
17	A'	839	839	2.28
18	A'	792	792	74.75
19	A'	430	430	0.22
20	A'	264	264	0.95
21	A'	189	189	0.73
22	A'	112	112	1.41
23	A"	3144	3144	11.48
24	A"	3122	3122	20.97
25	A"	3071	3071	1.82
26	A"	3056	3056	35.60
27	A"	2947	2947	12.09
28	A"	1550	1550	3.74
29	A"	1540	1540	6.92
30	A"	1529	1529	11.55
31	A"	1510	1510	15.94
32	A"	1438	1438	16.02
33	A"	1381	1381	24.86
34	A"	1309	1309	5.09
35	A"	1171	1171	51.80
36	A"	1132	1132	10.48
37	A"	1083	1083	1.90
38	A"	955	955	0.45
39	A"	819	819	0.35
40	A"	432	432	0.58
41	A"	265	265	0.80
42	A"	109	109	1.34

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	2.455
C5	0.017	-0.371	-2.455
H6	-0.809	-0.876	0.000
H7	-0.834	1.220	1.262
H8	0.923	1.132	1.209
H9	-0.834	1.220	-1.262
H10	0.923	1.132	-1.209
H11	0.076	0.225	3.368
H12	-0.896	-0.970	2.511
H13	0.867	-1.054	2.428
H14	0.076	0.225	-3.368
H15	-0.896	-0.970	-2.511
H16	0.867	-1.054	-2.428

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4597	1.4597	2.4565	2.4565	1.0160	2.1411	2.0716	2.1411	2.0716	3.4070	2.7579	2.6849	3.4070	2.7579	2.6849
C2	1.4597		2.4376	1.5226	3.7798	2.0278	1.1042	1.0942	2.7153	2.6632	2.1699	2.1719	2.1579	4.5966	4.1179	4.0613
C3	1.4597	2.4376		3.7798	1.5226	2.0278	2.7153	2.6632	1.1042	1.0942	4.5966	4.1179	4.0613	2.1699	2.1719	2.1579
C4	2.4565	1.5226	3.7798		4.9100	2.6392	2.1631	2.1520	4.1320	4.0627	1.0919	1.0936	1.0907	5.8538	5.0843	5.0033
C5	2.4565	3.7798	1.5226	4.9100		2.6392	4.1320	4.0627	2.1631	2.1520	5.8538	5.0843	5.0033	1.0919	1.0936	1.0907
H6	1.0160	2.0278	2.0278	2.6392	2.6392		2.4471	2.9147	2.4471	2.9147	3.6523	2.5139	2.9558	3.6523	2.5139	2.9558
H7	2.1411	1.1042	2.7153	2.1631	4.1320	2.4471		1.7595	2.5244	3.0333	2.5005	2.5221	3.0700	4.8226	4.3631	4.6566
H8	2.0716	1.0942	2.6632	2.1520	4.0627	2.9147	1.7595		3.0333	2.4184	2.4902	3.0694	2.5040	4.7426	4.6438	4.2443
H9	2.1411	2.7153	1.1042	4.1320	2.1631	2.4471	2.5244	3.0333		1.7595	4.8226	4.3631	4.6566	2.5005	2.5221	3.0700
H10	2.0716	2.6632	1.0942	4.0627	2.1520	2.9147	3.0333	2.4184	1.7595		4.7426	4.6438	4.2443	2.4902	3.0694	2.5040
H11	3.4070	2.1699	4.5966	1.0919	5.8538	3.6523	2.5005	2.4902	4.8226	4.7426		1.7629	1.7738	6.7361	6.0771	5.9881
H12	2.7579	2.1719	4.1179	1.0936	5.0843	2.5139	2.5221	3.0694	4.3631	4.6438	1.7629		1.7665	6.0771	5.0212	5.2445
H13	2.6849	2.1579	4.0613	1.0907	5.0033	2.9558	3.0700	2.5040	4.6566	4.2443	1.7738	1.7665		5.9881	5.2445	4.8561
H14	3.4070	4.5966	2.1699	5.8538	1.0919	3.6523	4.8226	4.7426	2.5005	2.4902	6.7361	6.0771	5.9881		1.7629	1.7738
H15	2.7579	4.1179	2.1719	5.0843	1.0936	2.5139	4.3631	4.6438	2.5221	3.0694	6.0771	5.0212	5.2445	1.7629		1.7665
H16	2.6849	4.0613	2.1579	5.0033	1.0907	2.9558	4.6566	4.2443	3.0700	2.5040	5.9881	5.2445	4.8561	1.7738	1.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.892	N1	C2	H7	112.511
N1	C2	H8	107.553	N1	C3	C5	110.892
N1	C3	H9	112.511	N1	C3	H10	107.553
C2	N1	C3	113.222	C2	N1	H6	108.661
C2	C4	H11	111.119	C2	C4	H12	111.178
C2	C4	H13	110.231	C3	N1	H6	108.661
C3	C5	H14	111.119	C3	C5	H15	111.178
C3	C5	H16	110.231	C4	C2	H7	109.842
C4	C2	H8	109.561	C5	C3	H8	151.027
C5	C3	H10	109.561	H7	C2	H8	106.323
H9	C3	H10	106.323	H11	C4	H12	107.536
H11	C4	H13	108.719	H12	C4	H13	107.945
H14	C5	H15	107.536	H14	C5	H16	108.719
H15	C5	H16	107.945

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)