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	hartrees
Energy at 0K	-211.669331
Energy at 298.15K	-211.682044
HF Energy	-211.135051
Nuclear repulsion energy	185.818719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3374	3281	5.03
2	A'	3125	3039	40.26
3	A'	3100	3014	59.27
4	A'	3060	2975	33.40
5	A'	3039	2955	10.14
6	A'	2950	2868	119.85
7	A'	1606	1562	0.71
8	A'	1585	1541	2.84
9	A'	1574	1530	11.79
10	A'	1473	1432	5.45
11	A'	1450	1410	0.36
12	A'	1357	1319	1.81
13	A'	1277	1242	3.81
14	A'	1182	1149	7.30
15	A'	1025	996	0.19
16	A'	933	907	16.25
17	A'	857	833	3.87
18	A'	740	720	83.84
19	A'	421	409	0.36
20	A'	264	256	1.58
21	A'	185	180	1.20
22	A'	105	102	1.78
23	A"	3125	3039	7.29
24	A"	3100	3014	16.79
25	A"	3056	2972	1.70
26	A"	3038	2954	21.47
27	A"	2946	2865	5.17
28	A"	1597	1553	1.79
29	A"	1584	1540	2.04
30	A"	1577	1534	4.91
31	A"	1530	1488	9.71
32	A"	1471	1431	9.88
33	A"	1398	1360	28.13
34	A"	1336	1299	4.92
35	A"	1154	1122	0.89
36	A"	1130	1099	51.28
37	A"	1080	1050	0.96
38	A"	929	903	0.16
39	A"	845	822	1.21
40	A"	422	410	1.42
41	A"	260	253	0.96
42	A"	118	114	1.47

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.283	0.000
C2	0.017	0.542	1.246
C3	0.017	0.542	-1.246
C4	0.017	-0.389	2.482
C5	0.017	-0.389	-2.482
H6	-0.809	-0.899	0.000
H7	-0.838	1.246	1.301
H8	0.937	1.144	1.237
H9	-0.838	1.246	-1.301
H10	0.937	1.144	-1.237
H11	0.092	0.192	3.411
H12	-0.911	-0.980	2.517
H13	0.867	-1.078	2.412
H14	0.092	0.192	-3.411
H15	-0.911	-0.980	-2.517
H16	0.867	-1.078	-2.412

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4947	1.4947	2.4844	2.4844	1.0295	2.1818	2.1010	2.1818	2.1010	3.4451	2.7713	2.6781	3.4451	2.7713	2.6781
C2	1.4947		2.4924	1.5476	3.8430	2.0761	1.1084	1.0997	2.7774	2.7159	2.1945	2.1889	2.1695	4.6713	4.1638	4.0901
C3	1.4947	2.4924		3.8430	1.5476	2.0761	2.7774	2.7159	1.1084	1.0997	4.6713	4.1638	4.0901	2.1945	2.1889	2.1695
C4	2.4844	1.5476	3.8430		4.9643	2.6648	2.1907	2.1791	4.2090	4.1269	1.0987	1.1000	1.0968	5.9225	5.1184	5.0148
C5	2.4844	3.8430	1.5476	4.9643		2.6648	4.2090	4.1269	2.1907	2.1791	5.9225	5.1184	5.0148	1.0987	1.1000	1.0968
H6	1.0295	2.0761	2.0761	2.6648	2.6648		2.5084	2.9580	2.5084	2.9580	3.6930	2.5202	2.9423	3.6930	2.5202	2.9423
H7	2.1818	1.1084	2.7774	2.1907	4.2090	2.5084		1.7791	2.6020	3.0989	2.5356	2.5373	3.0890	4.9175	4.4199	4.7003
H8	2.1010	1.0997	2.7159	2.1791	4.1269	2.9580	1.7791		3.0989	2.4742	2.5193	3.0924	2.5143	4.8195	4.6923	4.2727
H9	2.1818	2.7774	1.1084	4.2090	2.1907	2.5084	2.6020	3.0989		1.7791	4.9175	4.4199	4.7003	2.5356	2.5373	3.0890
H10	2.1010	2.7159	1.0997	4.1269	2.1791	2.9580	3.0989	2.4742	1.7791		4.8195	4.6923	4.2727	2.5193	3.0924	2.5143
H11	3.4451	2.1945	4.6713	1.0987	5.9225	3.6930	2.5356	2.5193	4.9175	4.8195		1.7832	1.7925	6.8226	6.1256	6.0101
H12	2.7713	2.1889	4.1638	1.1000	5.1184	2.5202	2.5373	3.0924	4.4199	4.6923	1.7832		1.7838	6.1256	5.0337	5.2404
H13	2.6781	2.1695	4.0901	1.0968	5.0148	2.9423	3.0890	2.5143	4.7003	4.2727	1.7925	1.7838		6.0101	5.2404	4.8235
H14	3.4451	4.6713	2.1945	5.9225	1.0987	3.6930	4.9175	4.8195	2.5356	2.5193	6.8226	6.1256	6.0101		1.7832	1.7925
H15	2.7713	4.1638	2.1889	5.1184	1.1000	2.5202	4.4199	4.6923	2.5373	3.0924	6.1256	5.0337	5.2404	1.7832		1.7838
H16	2.6781	4.0901	2.1695	5.0148	1.0968	2.9423	4.7003	4.2727	3.0890	2.5143	6.0101	5.2404	4.8235	1.7925	1.7838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	109.485	N1	C2	H7	113.056
N1	C2	H8	107.176	N1	C3	C5	109.485
N1	C3	H9	113.056	N1	C3	H10	107.176
C2	N1	C3	112.977	C2	N1	H6	109.278
C2	C4	H11	110.911	C2	C4	H12	110.391
C2	C4	H13	109.062	C3	N1	H6	109.278
C3	C5	H14	110.911	C3	C5	H15	110.391
C3	C5	H16	109.062	C4	C2	H7	110.034
C4	C2	H8	109.637	C5	C3	H8	149.724
C5	C3	H10	109.637	H7	C2	H8	107.356
H9	C3	H10	107.356	H11	C4	H12	108.392
H11	C4	H13	109.459	H12	C4	H13	108.586
H14	C5	H15	108.392	H14	C5	H16	109.459
H15	C5	H16	108.586

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

using model chemistry: CCD/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: CCD/3-21G

States and conformations

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