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	hartrees
Energy at 0K	-211.688483
Energy at 298.15K	-211.701153
HF Energy	-211.134369
Nuclear repulsion energy	185.519044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3336	3265
2	A'	3120	3054
3	A'	3094	3028
4	A'	3049	2985
5	A'	3030	2965
6	A'	2929	2867
7	A'	1600	1566
8	A'	1582	1548
9	A'	1571	1538
10	A'	1467	1435
11	A'	1439	1408
12	A'	1349	1320
13	A'	1272	1245
14	A'	1172	1147
15	A'	1012	991
16	A'	927	907
17	A'	852	834
18	A'	731	715
19	A'	417	408
20	A'	263	257
21	A'	182	179
22	A'	101	99
23	A"	3120	3054
24	A"	3093	3028
25	A"	3047	2982
26	A"	3029	2965
27	A"	2925	2863
28	A"	1591	1557
29	A"	1580	1546
30	A"	1574	1540
31	A"	1514	1482
32	A"	1464	1433
33	A"	1387	1358
34	A"	1329	1301
35	A"	1145	1121
36	A"	1114	1091
37	A"	1068	1045
38	A"	919	899
39	A"	841	823
40	A"	417	408
41	A"	260	255
42	A"	118	115

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.288	0.000
C2	0.017	0.543	1.248
C3	0.017	0.543	-1.248
C4	0.017	-0.389	2.486
C5	0.017	-0.389	-2.486
H6	-0.819	-0.894	0.000
H7	-0.838	1.249	1.303
H8	0.939	1.144	1.236
H9	-0.838	1.249	-1.303
H10	0.939	1.144	-1.236
H11	0.092	0.193	3.416
H12	-0.911	-0.979	2.520
H13	0.868	-1.078	2.415
H14	0.092	0.193	-3.416
H15	-0.911	-0.979	-2.520
H16	0.868	-1.078	-2.415

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.5000	1.5000	2.4880	2.4880	1.0325	2.1890	2.1045	2.1890	2.1045	3.4501	2.7728	2.6792	3.4501	2.7728	2.6792
C2	1.5000		2.4966	1.5495	3.8489	2.0792	1.1098	1.1004	2.7818	2.7168	2.1967	2.1901	2.1710	4.6776	4.1687	4.0952
C3	1.5000	2.4966		3.8489	1.5495	2.0792	2.7818	2.7168	1.1098	1.1004	4.6776	4.1687	4.0952	2.1967	2.1901	2.1710
C4	2.4880	1.5495	3.8489		4.9720	2.6710	2.1937	2.1826	4.2156	4.1293	1.0992	1.1005	1.0972	5.9306	5.1252	5.0215
C5	2.4880	3.8489	1.5495	4.9720		2.6710	4.2156	4.1293	2.1937	2.1826	5.9306	5.1252	5.0215	1.0992	1.1005	1.0972
H6	1.0325	2.0792	2.0792	2.6710	2.6710		2.5079	2.9617	2.5079	2.9617	3.6983	2.5229	2.9515	3.6983	2.5229	2.9515
H7	2.1890	1.1098	2.7818	2.1937	4.2156	2.5079		1.7811	2.6063	3.1006	2.5382	2.5397	3.0918	4.9241	4.4255	4.7060
H8	2.1045	1.1004	2.7168	2.1826	4.1293	2.9617	1.7811		3.1006	2.4714	2.5245	3.0953	2.5166	4.8224	4.6942	4.2742
H9	2.1890	2.7818	1.1098	4.2156	2.1937	2.5079	2.6063	3.1006		1.7811	4.9241	4.4255	4.7060	2.5382	2.5397	3.0918
H10	2.1045	2.7168	1.1004	4.1293	2.1826	2.9617	3.1006	2.4714	1.7811		4.8224	4.6942	4.2742	2.5245	3.0953	2.5166
H11	3.4501	2.1967	4.6776	1.0992	5.9306	3.6983	2.5382	2.5245	4.9241	4.8224		1.7842	1.7939	6.8310	6.1326	6.0173
H12	2.7728	2.1901	4.1687	1.1005	5.1252	2.5229	2.5397	3.0953	4.4255	4.6942	1.7842		1.7848	6.1326	5.0395	5.2463
H13	2.6792	2.1710	4.0952	1.0972	5.0215	2.9515	3.0918	2.5166	4.7060	4.2742	1.7939	1.7848		6.0173	5.2463	4.8294
H14	3.4501	4.6776	2.1967	5.9306	1.0992	3.6983	4.9241	4.8224	2.5382	2.5245	6.8310	6.1326	6.0173		1.7842	1.7939
H15	2.7728	4.1687	2.1901	5.1252	1.1005	2.5229	4.4255	4.6942	2.5397	3.0953	6.1326	5.0395	5.2463	1.7842		1.7848
H16	2.6792	4.0952	2.1710	5.0215	1.0972	2.9515	4.7060	4.2742	3.0918	2.5166	6.0173	5.2463	4.8294	1.7939	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	109.337	N1	C2	H7	113.176
N1	C2	H8	107.053	N1	C3	C5	109.337
N1	C3	H9	113.176	N1	C3	H10	107.053
C2	N1	C3	112.654	C2	N1	H6	108.977
C2	C4	H11	110.916	C2	C4	H12	110.324
C2	C4	H13	109.023	C3	N1	H6	108.977
C3	C5	H14	110.916	C3	C5	H15	110.324
C3	C5	H16	109.023	C4	C2	H7	110.057
C4	C2	H8	109.738	C5	C3	H8	149.698
C5	C3	H10	109.738	H7	C2	H8	107.385
H9	C3	H10	107.385	H11	C4	H12	108.410
H11	C4	H13	109.522	H12	C4	H13	108.608
H14	C5	H15	108.410	H14	C5	H16	109.522
H15	C5	H16	108.608

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

using model chemistry: MP4=FULL/3-21G

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: MP4=FULL/3-21G

States and conformations

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