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	hartrees
Energy at 0K	-213.183708
Energy at 298.15K	-213.196448
HF Energy	-212.387399
Nuclear repulsion energy	188.929564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3539	3355	0.01
2	A'	3188	3022	38.21
3	A'	3168	3003	58.55
4	A'	3112	2950	44.62
5	A'	3084	2923	12.08
6	A'	2995	2839	160.26
7	A'	1551	1470	1.21
8	A'	1526	1446	3.28
9	A'	1512	1433	12.87
10	A'	1454	1378	3.03
11	A'	1418	1344	1.14
12	A'	1339	1269	5.52
13	A'	1256	1190	1.31
14	A'	1189	1127	12.42
15	A'	1085	1028	6.82
16	A'	922	874	8.67
17	A'	844	800	3.55
18	A'	802	760	74.72
19	A'	430	408	0.25
20	A'	262	248	1.12
21	A'	187	177	0.66
22	A'	112	106	1.45
23	A"	3188	3022	7.29
24	A"	3168	3003	15.38
25	A"	3110	2948	0.70
26	A"	3083	2923	30.77
27	A"	2993	2837	11.22
28	A"	1538	1457	4.07
29	A"	1524	1444	0.07
30	A"	1518	1439	11.59
31	A"	1493	1415	27.99
32	A"	1433	1358	11.79
33	A"	1375	1303	19.44
34	A"	1300	1232	2.94
35	A"	1185	1123	45.92
36	A"	1134	1075	8.61
37	A"	1084	1028	1.85
38	A"	961	911	0.58
39	A"	825	782	0.37
40	A"	431	408	0.50
41	A"	262	248	0.58
42	A"	99	94	1.17

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.288	0.000
C2	0.017	0.517	1.214
C3	0.017	0.517	-1.214
C4	0.017	-0.368	2.448
C5	0.017	-0.368	-2.448
H6	-0.805	-0.884	0.000
H7	-0.836	1.213	1.254
H8	0.924	1.127	1.200
H9	-0.836	1.213	-1.254
H10	0.924	1.127	-1.200
H11	0.060	0.233	3.357
H12	-0.890	-0.974	2.490
H13	0.875	-1.039	2.427
H14	0.060	0.233	-3.357
H15	-0.890	-0.974	-2.490
H16	0.875	-1.039	-2.427

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4568	1.4568	2.4494	2.4494	1.0159	2.1333	2.0646	2.1333	2.0646	3.3970	2.7379	2.6820	3.3970	2.7379	2.6820
C2	1.4568		2.4288	1.5184	3.7680	2.0284	1.1018	1.0927	2.7026	2.6500	2.1613	2.1618	2.1514	4.5800	4.0952	4.0522
C3	1.4568	2.4288		3.7680	1.5184	2.0284	2.7026	2.6500	1.1018	1.0927	4.5800	4.0952	4.0522	2.1613	2.1618	2.1514
C4	2.4494	1.5184	3.7680		4.8961	2.6335	2.1574	2.1484	4.1148	4.0454	1.0904	1.0917	1.0891	5.8359	5.0575	4.9957
C5	2.4494	3.7680	1.5184	4.8961		2.6335	4.1148	4.0454	2.1574	2.1484	5.8359	5.0575	4.9957	1.0904	1.0917	1.0891
H6	1.0159	2.0284	2.0284	2.6335	2.6335		2.4434	2.9109	2.4434	2.9109	3.6419	2.4934	2.9562	3.6419	2.4934	2.9562
H7	2.1333	1.1018	2.7026	2.1574	4.1148	2.4434		1.7627	2.5074	3.0206	2.4869	2.5123	3.0621	4.7977	4.3360	4.6422
H8	2.0646	1.0927	2.6500	2.1484	4.0454	2.9109	1.7627		3.0206	2.3998	2.4893	3.0608	2.4902	4.7230	4.6175	4.2251
H9	2.1333	2.7026	1.1018	4.1148	2.1574	2.4434	2.5074	3.0206		1.7627	4.7977	4.3360	4.6422	2.4869	2.5123	3.0621
H10	2.0646	2.6500	1.0927	4.0454	2.1484	2.9109	3.0206	2.3998	1.7627		4.7230	4.6175	4.2251	2.4893	3.0608	2.4902
H11	3.3970	2.1613	4.5800	1.0904	5.8359	3.6419	2.4869	2.4893	4.7977	4.7230		1.7633	1.7737	6.7132	6.0453	5.9781
H12	2.7379	2.1618	4.0952	1.0917	5.0575	2.4934	2.5123	3.0608	4.3360	4.6175	1.7633		1.7679	6.0453	4.9808	5.2256
H13	2.6820	2.1514	4.0522	1.0891	4.9957	2.9562	3.0621	2.4902	4.6422	4.2251	1.7737	1.7679		5.9781	5.2256	4.8549
H14	3.3970	4.5800	2.1613	5.8359	1.0904	3.6419	4.7977	4.7230	2.4869	2.4893	6.7132	6.0453	5.9781		1.7633	1.7737
H15	2.7379	4.0952	2.1618	5.0575	1.0917	2.4934	4.3360	4.6175	2.5123	3.0608	6.0453	4.9808	5.2256	1.7633		1.7679
H16	2.6820	4.0522	2.1514	4.9957	1.0891	2.9562	4.6422	4.2251	3.0621	2.4902	5.9781	5.2256	4.8549	1.7737	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.812	N1	C2	H7	112.241
N1	C2	H8	107.296	N1	C3	C5	110.812
N1	C3	H9	112.241	N1	C3	H10	107.296
C2	N1	C3	112.950	C2	N1	H6	108.930
C2	C4	H11	110.818	C2	C4	H12	110.772
C2	C4	H13	110.098	C3	N1	H6	108.930
C3	C5	H14	110.818	C3	C5	H15	110.772
C3	C5	H16	110.098	C4	C2	H7	109.828
C4	C2	H8	109.656	C5	C3	H8	150.978
C5	C3	H10	109.656	H7	C2	H8	106.877
H9	C3	H10	106.877	H11	C4	H12	107.818
H11	C4	H13	108.939	H12	C4	H13	108.319
H14	C5	H15	107.818	H14	C5	H16	108.939
H15	C5	H16	108.319

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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