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	hartrees
Energy at 0K	-210.795217
Energy at 298.15K
HF Energy	-210.706108
Nuclear repulsion energy	184.592662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3611	3611	13.34
2	A'	3537	3537	2.44
3	A'	3525	3525	4.13
4	A'	3453	3453	10.56
5	A'	3355	3355	1.30
6	A'	3319	3319	30.41
7	A'	1722	1722	1.58
8	A'	1706	1706	3.96
9	A'	1700	1700	2.31
10	A'	1601	1601	0.13
11	A'	1539	1539	1.14
12	A'	1433	1433	2.36
13	A'	1359	1359	2.80
14	A'	1249	1249	9.54
15	A'	1148	1148	0.46
16	A'	1025	1025	21.82
17	A'	897	897	1.95
18	A'	849	849	30.42
19	A'	437	437	0.11
20	A'	228	228	1.76
21	A'	193	193	0.87
22	A'	110	110	2.06
23	A"	3537	3537	0.49
24	A"	3525	3525	0.65
25	A"	3454	3454	0.08
26	A"	3355	3355	2.48
27	A"	3320	3320	2.92
28	A"	1720	1720	0.23
29	A"	1707	1707	0.06
30	A"	1697	1697	3.13
31	A"	1623	1623	7.45
32	A"	1596	1596	0.44
33	A"	1483	1483	46.50
34	A"	1402	1402	1.83
35	A"	1220	1220	3.05
36	A"	1181	1181	6.55
37	A"	1157	1157	4.90
38	A"	1026	1026	0.28
39	A"	872	872	0.96
40	A"	425	425	0.55
41	A"	227	227	0.48
42	A"	118	118	0.75

Atom	x (Å)	y (Å)	z (Å)
N1	0.020	-0.354	0.000
C2	0.020	0.525	1.235
C3	0.020	0.525	-1.235
C4	0.020	-0.356	2.516
C5	0.020	-0.356	-2.516
H6	-0.928	-0.827	0.000
H7	-0.841	1.228	1.262
H8	0.941	1.135	1.206
H9	-0.841	1.228	-1.262
H10	0.941	1.135	-1.206
H11	0.066	0.276	3.415
H12	-0.895	-0.966	2.568
H13	0.887	-1.031	2.512
H14	0.066	0.276	-3.415
H15	-0.895	-0.966	-2.568
H16	0.887	-1.031	-2.512

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.5162	1.5162	2.5161	2.5161	1.0591	2.1993	2.1262	2.1993	2.1262	3.4731	2.7933	2.7422	3.4731	2.7933	2.7422
C2	1.5162		2.4708	1.5544	3.8535	2.0621	1.1118	1.1054	2.7339	2.6800	2.1943	2.1983	2.1912	4.6574	4.1857	4.1489
C3	1.5162	2.4708		3.8535	1.5544	2.0621	2.7339	2.6800	1.1118	1.1054	4.6574	4.1857	4.1489	2.1943	2.1983	2.1912
C4	2.5161	1.5544	3.8535		5.0322	2.7296	2.1958	2.1879	4.1864	4.1142	1.1000	1.1002	1.0990	5.9650	5.2011	5.1466
C5	2.5161	3.8535	1.5544	5.0322		2.7296	4.1864	4.1142	2.1958	2.1879	5.9650	5.2011	5.1466	1.1000	1.1002	1.0990
H6	1.0591	2.0621	2.0621	2.7296	2.7296		2.4132	2.9660	2.4132	2.9660	3.7240	2.5715	3.1058	3.7240	2.5715	3.1058
H7	2.1993	1.1118	2.7339	2.1958	4.1864	2.4132		1.7857	2.5246	3.0462	2.5225	2.5531	3.1063	4.8587	4.4139	4.7257
H8	2.1262	1.1054	2.6800	2.1879	4.1142	2.9660	1.7857		3.0462	2.4124	2.5263	3.1041	2.5289	4.7812	4.6929	4.3028
H9	2.1993	2.7339	1.1118	4.1864	2.1958	2.4132	2.5246	3.0462		1.7857	4.8587	4.4139	4.7257	2.5225	2.5531	3.1063
H10	2.1262	2.6800	1.1054	4.1142	2.1879	2.9660	3.0462	2.4124	1.7857		4.7812	4.6929	4.3028	2.5263	3.1041	2.5289
H11	3.4731	2.1943	4.6574	1.1000	5.9650	3.7240	2.5225	2.5263	4.8587	4.7812		1.7842	1.7883	6.8302	6.1852	6.1246
H12	2.7933	2.1983	4.1857	1.1002	5.2011	2.5715	2.5531	3.1041	4.4139	4.6929	1.7842		1.7840	6.1852	5.1351	5.3832
H13	2.7422	2.1912	4.1489	1.0990	5.1466	3.1058	3.1063	2.5289	4.7257	4.3028	1.7883	1.7840		6.1246	5.3832	5.0236
H14	3.4731	4.6574	2.1943	5.9650	1.1000	3.7240	4.8587	4.7812	2.5225	2.5263	6.8302	6.1852	6.1246		1.7842	1.7883
H15	2.7933	4.1857	2.1983	5.2011	1.1002	2.5715	4.4139	4.6929	2.5531	3.1041	6.1852	5.1351	5.3832	1.7842		1.7840
H16	2.7422	4.1489	2.1912	5.1466	1.0990	3.1058	4.7257	4.3028	3.1063	2.5289	6.1246	5.3832	5.0236	1.7883	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.048	N1	C2	H7	112.721
N1	C2	H8	107.356	N1	C3	C5	110.048
N1	C3	H9	112.721	N1	C3	H10	107.356
C2	N1	C3	109.137	C2	N1	H6	105.006
C2	C4	H11	110.346	C2	C4	H12	110.650
C2	C4	H13	110.154	C3	N1	H6	105.006
C3	C5	H14	110.346	C3	C5	H15	110.650
C3	C5	H16	110.154	C4	C2	H7	109.776
C4	C2	H8	109.538	C5	C3	H8	151.593
C5	C3	H10	109.538	H7	C2	H8	107.300
H9	C3	H10	107.300	H11	C4	H12	108.378
H11	C4	H13	108.825	H12	C4	H13	108.429
H14	C5	H15	108.378	H14	C5	H16	108.825
H15	C5	H16	108.429

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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/STO-3G

States and conformations

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