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	hartrees
Energy at 0K	-213.177470
Energy at 298.15K	-213.190244
HF Energy	-212.354039
Nuclear repulsion energy	188.742865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3534	3347	0.42
2	A'	3186	3018	39.31
3	A'	3165	2997	62.85
4	A'	3112	2948	44.80
5	A'	3080	2917	12.41
6	A'	2991	2833	163.77
7	A'	1566	1483	3.46
8	A'	1540	1459	4.07
9	A'	1530	1449	18.75
10	A'	1458	1381	5.40
11	A'	1425	1350	2.00
12	A'	1354	1282	4.76
13	A'	1266	1199	1.58
14	A'	1190	1127	13.22
15	A'	1094	1036	7.64
16	A'	927	878	11.15
17	A'	845	800	7.35
18	A'	804	762	67.47
19	A'	434	411	0.27
20	A'	268	254	1.08
21	A'	191	181	0.76
22	A'	115	109	1.56
23	A"	3186	3018	7.87
24	A"	3165	2997	14.43
25	A"	3111	2946	0.63
26	A"	3080	2917	31.29
27	A"	2989	2831	9.54
28	A"	1555	1473	1.73
29	A"	1544	1463	3.22
30	A"	1534	1453	11.24
31	A"	1510	1431	23.09
32	A"	1443	1367	19.75
33	A"	1384	1311	18.03
34	A"	1313	1243	4.75
35	A"	1192	1129	46.96
36	A"	1137	1077	6.66
37	A"	1092	1034	5.11
38	A"	967	916	0.11
39	A"	820	777	0.44
40	A"	436	413	0.73
41	A"	270	255	0.85
42	A"	103	98	1.42

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.293	0.000
C2	0.017	0.518	1.213
C3	0.017	0.518	-1.213
C4	0.017	-0.368	2.449
C5	0.017	-0.368	-2.449
H6	-0.820	-0.869	0.000
H7	-0.835	1.219	1.251
H8	0.926	1.129	1.198
H9	-0.835	1.219	-1.251
H10	0.926	1.129	-1.198
H11	0.081	0.230	3.361
H12	-0.898	-0.963	2.505
H13	0.866	-1.053	2.415
H14	0.081	0.230	-3.361
H15	-0.898	-0.963	-2.505
H16	0.866	-1.053	-2.415

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4587	1.4587	2.4500	2.4500	1.0165	2.1400	2.0694	2.1400	2.0694	3.4022	2.7500	2.6700	3.4022	2.7500	2.6700
C2	1.4587		2.4252	1.5206	3.7670	2.0234	1.1045	1.0949	2.6999	2.6477	2.1686	2.1684	2.1520	4.5832	4.1051	4.0429
C3	1.4587	2.4252		3.7670	1.5206	2.0234	2.6999	2.6477	1.1045	1.0949	4.5832	4.1051	4.0429	2.1686	2.1684	2.1520
C4	2.4500	1.5206	3.7670		4.8977	2.6362	2.1632	2.1515	4.1154	4.0454	1.0926	1.0938	1.0910	5.8410	5.0728	4.9845
C5	2.4500	3.7670	1.5206	4.8977		2.6362	4.1154	4.0454	2.1632	2.1515	5.8410	5.0728	4.9845	1.0926	1.0938	1.0910
H6	1.0165	2.0234	2.0234	2.6362	2.6362		2.4344	2.9111	2.4344	2.9111	3.6493	2.5079	2.9513	3.6493	2.5079	2.9513
H7	2.1400	1.1045	2.6999	2.1632	4.1154	2.4344		1.7635	2.5026	3.0178	2.5038	2.5180	3.0673	4.8054	4.3449	4.6364
H8	2.0694	1.0949	2.6477	2.1515	4.0454	2.9111	1.7635		3.0178	2.3964	2.4899	3.0679	2.4984	4.7232	4.6279	4.2209
H9	2.1400	2.6999	1.1045	4.1154	2.1632	2.4344	2.5026	3.0178		1.7635	4.8054	4.3449	4.6364	2.5038	2.5180	3.0673
H10	2.0694	2.6477	1.0949	4.0454	2.1515	2.9111	3.0178	2.3964	1.7635		4.7232	4.6279	4.2209	2.4899	3.0679	2.4984
H11	3.4022	2.1686	4.5832	1.0926	5.8410	3.6493	2.5038	2.4899	4.8054	4.7232		1.7654	1.7766	6.7223	6.0658	5.9686
H12	2.7500	2.1684	4.1051	1.0938	5.0728	2.5079	2.5180	3.0679	4.3449	4.6279	1.7654		1.7692	6.0658	5.0099	5.2276
H13	2.6700	2.1520	4.0429	1.0910	4.9845	2.9513	3.0673	2.4984	4.6364	4.2209	1.7766	1.7692		5.9686	5.2276	4.8299
H14	3.4022	4.5832	2.1686	5.8410	1.0926	3.6493	4.8054	4.7232	2.5038	2.4899	6.7223	6.0658	5.9686		1.7654	1.7766
H15	2.7500	4.1051	2.1684	5.0728	1.0938	2.5079	4.3449	4.6279	2.5180	3.0679	6.0658	5.0099	5.2276	1.7654		1.7692
H16	2.6700	4.0429	2.1520	4.9845	1.0910	2.9513	4.6364	4.2209	3.0673	2.4984	5.9686	5.2276	4.8299	1.7766	1.7692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.622	N1	C2	H7	112.475
N1	C2	H8	107.413	N1	C3	C5	110.622
N1	C3	H9	112.475	N1	C3	H10	107.413
C2	N1	C3	112.469	C2	N1	H6	108.345
C2	C4	H11	111.114	C2	C4	H12	111.019
C2	C4	H13	109.886	C3	N1	H6	108.345
C3	C5	H14	111.114	C3	C5	H15	111.019
C3	C5	H16	109.886	C4	C2	H7	109.972
C4	C2	H8	109.617	C5	C3	H8	151.000
C5	C3	H10	109.617	H7	C2	H8	106.602
H9	C3	H10	106.602	H11	C4	H12	107.691
H11	C4	H13	108.897	H12	C4	H13	108.143
H14	C5	H15	107.691	H14	C5	H16	108.897
H15	C5	H16	108.143

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

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