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	hartrees
Energy at 0K	-212.676665
Energy at 298.15K	-212.689462
HF Energy	-212.221270
Nuclear repulsion energy	187.136115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3601	3377	0.72
2	A'	3195	2996	57.36
3	A'	3170	2973	81.07
4	A'	3121	2927	48.71
5	A'	3103	2910	21.39
6	A'	3000	2813	171.89
7	A'	1630	1528	0.30
8	A'	1597	1497	3.16
9	A'	1587	1489	12.69
10	A'	1514	1420	4.48
11	A'	1498	1405	0.19
12	A'	1374	1289	2.61
13	A'	1305	1224	4.11
14	A'	1229	1153	13.47
15	A'	1101	1033	3.98
16	A'	938	880	3.16
17	A'	874	819	0.60
18	A'	724	679	125.95
19	A'	439	412	0.89
20	A'	263	247	1.69
21	A'	191	179	1.63
22	A'	105	99	2.16
23	A"	3194	2996	9.64
24	A"	3169	2972	24.93
25	A"	3117	2923	0.74
26	A"	3100	2907	32.55
27	A"	2994	2808	8.50
28	A"	1619	1519	1.21
29	A"	1602	1503	7.08
30	A"	1593	1494	12.70
31	A"	1576	1478	14.35
32	A"	1510	1416	12.06
33	A"	1446	1356	25.84
34	A"	1356	1272	3.44
35	A"	1216	1141	45.06
36	A"	1191	1117	16.13
37	A"	1124	1054	1.46
38	A"	986	925	0.61
39	A"	861	808	0.48
40	A"	444	416	0.57
41	A"	263	246	0.74
42	A"	108	102	1.50

Atom	x (Å)	y (Å)	z (Å)
N1	0.015	-0.251	0.000
C2	0.015	0.533	1.244
C3	0.015	0.533	-1.244
C4	0.015	-0.391	2.468
C5	0.015	-0.391	-2.468
H6	-0.710	-0.959	0.000
H7	-0.842	1.229	1.301
H8	0.921	1.150	1.245
H9	-0.842	1.229	-1.301
H10	0.921	1.150	-1.245
H11	0.059	0.189	3.395
H12	-0.894	-1.002	2.496
H13	0.877	-1.062	2.429
H14	0.059	0.189	-3.395
H15	-0.894	-1.002	-2.496
H16	0.877	-1.062	-2.429

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4702	1.4702	2.4715	2.4715	1.0140	2.1490	2.0817	2.1490	2.0817	3.4232	2.7611	2.7021	3.4232	2.7611	2.7021
C2	1.4702		2.4876	1.5335	3.8246	2.0738	1.1057	1.0958	2.7741	2.7196	2.1786	2.1801	2.1660	4.6513	4.1440	4.0959
C3	1.4702	2.4876		3.8246	1.5335	2.0738	2.7741	2.7196	1.1057	1.0958	4.6513	4.1440	4.0959	2.1786	2.1801	2.1660
C4	2.4715	1.5335	3.8246		4.9351	2.6340	2.1727	2.1653	4.1908	4.1207	1.0944	1.0961	1.0929	5.8909	5.0834	5.0170
C5	2.4715	3.8246	1.5335	4.9351		2.6340	4.1908	4.1207	2.1727	2.1653	5.8909	5.0834	5.0170	1.0944	1.0961	1.0929
H6	1.0140	2.0738	2.0738	2.6340	2.6340		2.5496	2.9429	2.5496	2.9429	3.6652	2.5035	2.9037	3.6652	2.5035	2.9037
H7	2.1490	1.1057	2.7741	2.1727	4.1908	2.5496		1.7652	2.6022	3.0979	2.5053	2.5318	3.0784	4.8932	4.4048	4.7030
H8	2.0817	1.0958	2.7196	2.1653	4.1207	2.9429	1.7652		3.0979	2.4907	2.5071	3.0808	2.5089	4.8161	4.6826	4.2889
H9	2.1490	2.7741	1.1057	4.1908	2.1727	2.5496	2.6022	3.0979		1.7652	4.8932	4.4048	4.7030	2.5053	2.5318	3.0784
H10	2.0817	2.7196	1.0958	4.1207	2.1653	2.9429	3.0979	2.4907	1.7652		4.8161	4.6826	4.2889	2.5071	3.0808	2.5089
H11	3.4232	2.1786	4.6513	1.0944	5.8909	3.6652	2.5053	2.5071	4.8932	4.8161		1.7703	1.7793	6.7892	6.0853	6.0124
H12	2.7611	2.1801	4.1440	1.0961	5.0834	2.5035	2.5318	3.0808	4.4048	4.6826	1.7703		1.7740	6.0853	4.9928	5.2348
H13	2.7021	2.1660	4.0959	1.0929	5.0170	2.9037	3.0784	2.5089	4.7030	4.2889	1.7793	1.7740		6.0124	5.2348	4.8582
H14	3.4232	4.6513	2.1786	5.8909	1.0944	3.6652	4.8932	4.8161	2.5053	2.5071	6.7892	6.0853	6.0124		1.7703	1.7793
H15	2.7611	4.1440	2.1801	5.0834	1.0961	2.5035	4.4048	4.6826	2.5318	3.0808	6.0853	4.9928	5.2348	1.7703		1.7740
H16	2.7021	4.0959	2.1660	5.0170	1.0929	2.9037	4.7030	4.2889	3.0784	2.5089	6.0124	5.2348	4.8582	1.7793	1.7740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.721	N1	C2	H7	112.310
N1	C2	H8	107.542	N1	C3	C5	110.721
N1	C3	H9	112.310	N1	C3	H10	107.542
C2	N1	C3	115.558	C2	N1	H6	111.872
C2	C4	H11	110.896	C2	C4	H12	110.910
C2	C4	H13	109.982	C3	N1	H6	111.872
C3	C5	H14	110.896	C3	C5	H15	110.910
C3	C5	H16	109.982	C4	C2	H7	109.762
C4	C2	H8	109.765	C5	C3	H8	150.123
C5	C3	H10	109.765	H7	C2	H8	106.614
H9	C3	H10	106.614	H11	C4	H12	107.835
H11	C4	H13	108.867	H12	C4	H13	108.270
H14	C5	H15	107.835	H14	C5	H16	108.867
H15	C5	H16	108.270

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

using model chemistry: CISD/6-31G

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: CISD/6-31G

States and conformations

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