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	hartrees
Energy at 0K	-213.336903
Energy at 298.15K	-213.349622
HF Energy	-212.396167
Nuclear repulsion energy	189.034390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3517	3351	0.25
2	A'	3171	3022	30.22
3	A'	3152	3004	45.86
4	A'	3091	2945	38.59
5	A'	3068	2924	10.09
6	A'	2981	2841	145.85
7	A'	1538	1465	2.51
8	A'	1517	1446	2.37
9	A'	1510	1439	13.83
10	A'	1429	1361	3.41
11	A'	1401	1335	0.59
12	A'	1329	1266	4.29
13	A'	1238	1180	1.55
14	A'	1173	1118	10.67
15	A'	1082	1031	7.48
16	A'	909	866	5.29
17	A'	831	792	1.42
18	A'	770	734	66.59
19	A'	426	406	0.21
20	A'	260	247	1.30
21	A'	185	176	0.83
22	A'	113	107	1.34
23	A"	3171	3022	6.35
24	A"	3152	3004	13.42
25	A"	3091	2946	0.94
26	A"	3068	2923	28.23
27	A"	2981	2841	11.57
28	A"	1529	1457	1.08
29	A"	1516	1445	0.86
30	A"	1513	1442	6.79
31	A"	1474	1405	28.11
32	A"	1414	1347	10.14
33	A"	1360	1296	21.62
34	A"	1295	1234	3.40
35	A"	1177	1122	48.02
36	A"	1121	1068	6.90
37	A"	1077	1026	3.15
38	A"	956	911	0.25
39	A"	811	773	0.56
40	A"	426	406	0.45
41	A"	261	248	0.55
42	A"	112	107	0.90

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.290	0.000
C2	0.017	0.517	1.213
C3	0.017	0.517	-1.213
C4	0.017	-0.368	2.446
C5	0.017	-0.368	-2.446
H6	-0.804	-0.889	0.000
H7	-0.834	1.214	1.248
H8	0.923	1.129	1.196
H9	-0.834	1.214	-1.248
H10	0.923	1.129	-1.196
H11	0.035	0.232	3.355
H12	-0.878	-0.990	2.474
H13	0.886	-1.023	2.438
H14	0.035	0.232	-3.355
H15	-0.878	-0.990	-2.474
H16	0.886	-1.023	-2.438

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4572	1.4572	2.4470	2.4470	1.0158	2.1325	2.0645	2.1325	2.0645	3.3956	2.7224	2.6903	3.3956	2.7224	2.6903
C2	1.4572		2.4255	1.5177	3.7640	2.0302	1.1008	1.0923	2.6958	2.6444	2.1613	2.1597	2.1519	4.5767	4.0823	4.0570
C3	1.4572	2.4255		3.7640	1.5177	2.0302	2.6958	2.6444	1.1008	1.0923	4.5767	4.0823	4.0570	2.1613	2.1597	2.1519
C4	2.4470	1.5177	3.7640		4.8915	2.6320	2.1589	2.1495	4.1077	4.0394	1.0895	1.0910	1.0884	5.8318	5.0390	5.0040
C5	2.4470	3.7640	1.5177	4.8915		2.6320	4.1077	4.0394	2.1589	2.1495	5.8318	5.0390	5.0040	1.0895	1.0910	1.0884
H6	1.0158	2.0302	2.0302	2.6320	2.6320		2.4458	2.9117	2.4458	2.9117	3.6355	2.4770	2.9698	3.6355	2.4770	2.9698
H7	2.1325	1.1008	2.6958	2.1589	4.1077	2.4458		1.7593	2.4967	3.0108	2.4816	2.5224	3.0629	4.7866	4.3261	4.6430
H8	2.0645	1.0923	2.6444	2.1495	4.0394	2.9117	1.7593		3.0108	2.3911	2.5008	3.0602	2.4852	4.7221	4.6038	4.2234
H9	2.1325	2.6958	1.1008	4.1077	2.1589	2.4458	2.4967	3.0108		1.7593	4.7866	4.3261	4.6430	2.4816	2.5224	3.0629
H10	2.0645	2.6444	1.0923	4.0394	2.1495	2.9117	3.0108	2.3911	1.7593		4.7221	4.6038	4.2234	2.5008	3.0602	2.4852
H11	3.3956	2.1613	4.5767	1.0895	5.8318	3.6355	2.4816	2.5008	4.7866	4.7221		1.7620	1.7720	6.7101	6.0253	5.9888
H12	2.7224	2.1597	4.0823	1.0910	5.0390	2.4770	2.5224	3.0602	4.3261	4.6038	1.7620		1.7651	6.0253	4.9477	5.2197
H13	2.6903	2.1519	4.0570	1.0884	5.0040	2.9698	3.0629	2.4852	4.6430	4.2234	1.7720	1.7651		5.9888	5.2197	4.8770
H14	3.3956	4.5767	2.1613	5.8318	1.0895	3.6355	4.7866	4.7221	2.4816	2.5008	6.7101	6.0253	5.9888		1.7620	1.7720
H15	2.7224	4.0823	2.1597	5.0390	1.0910	2.4770	4.3261	4.6038	2.5224	3.0602	6.0253	4.9477	5.2197	1.7620		1.7651
H16	2.6903	4.0570	2.1519	5.0040	1.0884	2.9698	4.6430	4.2234	3.0629	2.4852	5.9888	5.2197	4.8770	1.7720	1.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.665	N1	C2	H7	112.205
N1	C2	H8	107.282	N1	C3	C5	110.665
N1	C3	H9	112.205	N1	C3	H10	107.282
C2	N1	C3	112.662	C2	N1	H6	109.056
C2	C4	H11	110.923	C2	C4	H12	110.703
C2	C4	H13	110.233	C3	N1	H6	109.056
C3	C5	H14	110.923	C3	C5	H15	110.703
C3	C5	H16	110.233	C4	C2	H7	110.053
C4	C2	H8	109.817	C5	C3	H8	151.003
C5	C3	H10	109.817	H7	C2	H8	106.687
H9	C3	H10	106.687	H11	C4	H12	107.821
H11	C4	H13	108.910	H12	C4	H13	108.165
H14	C5	H15	107.821	H14	C5	H16	108.910
H15	C5	H16	108.165

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

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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