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	hartrees
Energy at 0K	-213.229891
Energy at 298.15K	-213.242662
HF Energy	-212.354067
Nuclear repulsion energy	188.513521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3560	3560	0.98
2	A'	3169	3169	44.69
3	A'	3148	3148	73.22
4	A'	3101	3101	43.70
5	A'	3074	3074	14.18
6	A'	2992	2992	157.42
7	A'	1569	1569	3.23
8	A'	1538	1538	4.40
9	A'	1528	1528	17.55
10	A'	1470	1470	4.06
11	A'	1433	1433	2.21
12	A'	1359	1359	5.25
13	A'	1270	1270	1.57
14	A'	1197	1197	15.81
15	A'	1098	1098	6.94
16	A'	929	929	11.52
17	A'	848	848	12.41
18	A'	806	806	59.95
19	A'	437	437	0.33
20	A'	264	264	1.15
21	A'	192	192	0.75
22	A'	114	114	1.63
23	A"	3168	3168	10.38
24	A"	3148	3148	15.93
25	A"	3099	3099	0.81
26	A"	3074	3074	30.09
27	A"	2988	2988	7.22
28	A"	1559	1559	13.07
29	A"	1556	1556	9.54
30	A"	1534	1534	10.22
31	A"	1521	1521	10.41
32	A"	1451	1451	19.51
33	A"	1395	1395	17.19
34	A"	1316	1316	4.12
35	A"	1202	1202	42.79
36	A"	1141	1141	6.11
37	A"	1093	1093	3.79
38	A"	969	969	0.13
39	A"	819	819	0.47
40	A"	437	437	0.72
41	A"	264	264	0.77
42	A"	101	101	1.35

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.293	0.000
C2	0.017	0.517	1.214
C3	0.017	0.517	-1.214
C4	0.017	-0.368	2.454
C5	0.017	-0.368	-2.454
H6	-0.816	-0.871	0.000
H7	-0.835	1.218	1.252
H8	0.925	1.131	1.201
H9	-0.835	1.218	-1.252
H10	0.925	1.131	-1.201
H11	0.077	0.233	3.366
H12	-0.897	-0.968	2.510
H13	0.869	-1.051	2.426
H14	0.077	0.233	-3.366
H15	-0.897	-0.968	-2.510
H16	0.869	-1.051	-2.426

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4592	1.4592	2.4553	2.4553	1.0141	2.1393	2.0719	2.1393	2.0719	3.4069	2.7551	2.6802	3.4069	2.7551	2.6802
C2	1.4592		2.4276	1.5237	3.7732	2.0235	1.1045	1.0955	2.7012	2.6520	2.1713	2.1726	2.1569	4.5886	4.1117	4.0533
C3	1.4592	2.4276		3.7732	1.5237	2.0235	2.7012	2.6520	1.1045	1.0955	4.5886	4.1117	4.0533	2.1713	2.1726	2.1569
C4	2.4553	1.5237	3.7732		4.9083	2.6400	2.1654	2.1537	4.1200	4.0536	1.0933	1.0949	1.0921	5.8509	5.0830	5.0003
C5	2.4553	3.7732	1.5237	4.9083		2.6400	4.1200	4.0536	2.1654	2.1537	5.8509	5.0830	5.0003	1.0933	1.0949	1.0921
H6	1.0141	2.0235	2.0235	2.6400	2.6400		2.4357	2.9120	2.4357	2.9120	3.6527	2.5130	2.9587	3.6527	2.5130	2.9587
H7	2.1393	1.1045	2.7012	2.1654	4.1200	2.4357		1.7632	2.5030	3.0204	2.5044	2.5229	3.0712	4.8083	4.3508	4.6448
H8	2.0719	1.0955	2.6520	2.1537	4.0536	2.9120	1.7632		3.0204	2.4027	2.4918	3.0715	2.5019	4.7309	4.6362	4.2327
H9	2.1393	2.7012	1.1045	4.1200	2.1654	2.4357	2.5030	3.0204		1.7632	4.8083	4.3508	4.6448	2.5044	2.5229	3.0712
H10	2.0719	2.6520	1.0955	4.0536	2.1537	2.9120	3.0204	2.4027	1.7632		4.7309	4.6362	4.2327	2.4918	3.0715	2.5019
H11	3.4069	2.1713	4.5886	1.0933	5.8509	3.6527	2.5044	2.4918	4.8083	4.7309		1.7669	1.7775	6.7311	6.0753	5.9844
H12	2.7551	2.1726	4.1117	1.0949	5.0830	2.5130	2.5229	3.0715	4.3508	4.6362	1.7669		1.7701	6.0753	5.0196	5.2425
H13	2.6802	2.1569	4.0533	1.0921	5.0003	2.9587	3.0712	2.5019	4.6448	4.2327	1.7775	1.7701		5.9844	5.2425	4.8511
H14	3.4069	4.5886	2.1713	5.8509	1.0933	3.6527	4.8083	4.7309	2.5044	2.4918	6.7311	6.0753	5.9844		1.7669	1.7775
H15	2.7551	4.1117	2.1726	5.0830	1.0949	2.5130	4.3508	4.6362	2.5229	3.0715	6.0753	5.0196	5.2425	1.7669		1.7701
H16	2.6802	4.0533	2.1569	5.0003	1.0921	2.9587	4.6448	4.2327	3.0712	2.5019	5.9844	5.2425	4.8511	1.7775	1.7701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.777	N1	C2	H7	112.378
N1	C2	H8	107.534	N1	C3	C5	110.777
N1	C3	H9	112.378	N1	C3	H10	107.534
C2	N1	C3	112.572	C2	N1	H6	108.457
C2	C4	H11	111.063	C2	C4	H12	111.072
C2	C4	H13	109.994	C3	N1	H6	108.457
C3	C5	H14	111.063	C3	C5	H15	111.072
C3	C5	H16	109.994	C4	C2	H7	109.933
C4	C2	H8	109.537	C5	C3	H8	151.122
C5	C3	H10	109.537	H7	C2	H8	106.536
H9	C3	H10	106.536	H11	C4	H12	107.698
H11	C4	H13	108.852	H12	C4	H13	108.067
H14	C5	H15	107.698	H14	C5	H16	108.852
H15	C5	H16	108.067

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

using model chemistry: MP3=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: MP3=FULL/6-311G*

States and conformations

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