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	hartrees
Energy at 0K	-211.680396
Energy at 298.15K	-211.693064
HF Energy	-211.134297
Nuclear repulsion energy	185.483961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3335	3234
2	A'	3119	3025
3	A'	3093	3000
4	A'	3049	2957
5	A'	3029	2938
6	A'	2929	2840
7	A'	1600	1552
8	A'	1582	1534
9	A'	1571	1523
10	A'	1466	1422
11	A'	1439	1395
12	A'	1349	1308
13	A'	1272	1234
14	A'	1171	1136
15	A'	1012	981
16	A'	927	899
17	A'	852	826
18	A'	731	709
19	A'	416	404
20	A'	262	254
21	A'	183	177
22	A'	101	98
23	A"	3119	3025
24	A"	3093	2999
25	A"	3046	2954
26	A"	3029	2937
27	A"	2925	2837
28	A"	1591	1543
29	A"	1580	1532
30	A"	1574	1526
31	A"	1514	1468
32	A"	1464	1420
33	A"	1387	1345
34	A"	1329	1289
35	A"	1145	1110
36	A"	1114	1080
37	A"	1067	1035
38	A"	919	891
39	A"	841	815
40	A"	417	404
41	A"	260	252
42	A"	117	114

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.289	0.000
C2	0.017	0.543	1.249
C3	0.017	0.543	-1.249
C4	0.017	-0.389	2.487
C5	0.017	-0.389	-2.487
H6	-0.820	-0.893	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	2.521
H13	0.868	-1.078	2.415
H14	0.092	0.193	-3.416
H15	-0.911	-0.979	-2.521
H16	0.868	-1.078	-2.415

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.5004	1.5004	2.4886	2.4886	1.0326	2.1895	2.1049	2.1895	2.1049	3.4507	2.7734	2.6797	3.4507	2.7734	2.6797
C2	1.5004		2.4971	1.5498	3.8497	2.0794	1.1099	1.1005	2.7822	2.7171	2.1969	2.1905	2.1713	4.6783	4.1696	4.0960
C3	1.5004	2.4971		3.8497	1.5498	2.0794	2.7822	2.7171	1.1099	1.1005	4.6783	4.1696	4.0960	2.1969	2.1905	2.1713
C4	2.4886	1.5498	3.8497		4.9731	2.6717	2.1940	2.1829	4.2162	4.1299	1.0993	1.1006	1.0973	5.9317	5.1265	5.0227
C5	2.4886	3.8497	1.5498	4.9731		2.6717	4.2162	4.1299	2.1940	2.1829	5.9317	5.1265	5.0227	1.0993	1.1006	1.0973
H6	1.0326	2.0794	2.0794	2.6717	2.6717		2.5076	2.9619	2.5076	2.9619	3.6990	2.5236	2.9525	3.6990	2.5236	2.9525
H7	2.1895	1.1099	2.7822	2.1940	4.2162	2.5076		1.7814	2.6065	3.1009	2.5385	2.5400	3.0922	4.9247	4.4262	4.7067
H8	2.1049	1.1005	2.7171	2.1829	4.1299	2.9619	1.7814		3.1009	2.4715	2.5248	3.0957	2.5170	4.8229	4.6949	4.2748
H9	2.1895	2.7822	1.1099	4.2162	2.1940	2.5076	2.6065	3.1009		1.7814	4.9247	4.4262	4.7067	2.5385	2.5400	3.0922
H10	2.1049	2.7171	1.1005	4.1299	2.1829	2.9619	3.1009	2.4715	1.7814		4.8229	4.6949	4.2748	2.5248	3.0957	2.5170
H11	3.4507	2.1969	4.6783	1.0993	5.9317	3.6990	2.5385	2.5248	4.9247	4.8229		1.7845	1.7942	6.8321	6.1339	6.0185
H12	2.7734	2.1905	4.1696	1.1006	5.1265	2.5236	2.5400	3.0957	4.4262	4.6949	1.7845		1.7850	6.1339	5.0410	5.2476
H13	2.6797	2.1713	4.0960	1.0973	5.0227	2.9525	3.0922	2.5170	4.7067	4.2748	1.7942	1.7850		6.0185	5.2476	4.8307
H14	3.4507	4.6783	2.1969	5.9317	1.0993	3.6990	4.9247	4.8229	2.5385	2.5248	6.8321	6.1339	6.0185		1.7845	1.7942
H15	2.7734	4.1696	2.1905	5.1265	1.1006	2.5236	4.4262	4.6949	2.5400	3.0957	6.1339	5.0410	5.2476	1.7845		1.7850
H16	2.6797	4.0960	2.1713	5.0227	1.0973	2.9525	4.7067	4.2748	3.0922	2.5170	6.0185	5.2476	4.8307	1.7942	1.7850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	109.337	N1	C2	H7	113.174
N1	C2	H8	107.046	N1	C3	C5	109.337
N1	C3	H9	113.174	N1	C3	H10	107.046
C2	N1	C3	112.637	C2	N1	H6	108.952
C2	C4	H11	110.907	C2	C4	H12	110.322
C2	C4	H13	109.022	C3	N1	H6	108.952
C3	C5	H14	110.907	C3	C5	H15	110.322
C3	C5	H16	109.022	C4	C2	H7	110.058
C4	C2	H8	109.738	C5	C3	H8	149.702
C5	C3	H10	109.738	H7	C2	H8	107.393
H9	C3	H10	107.393	H11	C4	H12	108.414
H11	C4	H13	109.526	H12	C4	H13	108.612
H14	C5	H15	108.414	H14	C5	H16	109.526
H15	C5	H16	108.612

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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