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	hartrees
Energy at 0K	-213.157304
Energy at 298.15K	-213.170059
HF Energy	-212.330355
Nuclear repulsion energy	187.517981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3496	3354	1.11
2	A'	3154	3026	43.93
3	A'	3134	3006	68.33
4	A'	3075	2950	53.01
5	A'	3055	2931	16.26
6	A'	2965	2845	162.91
7	A'	1530	1468	0.38
8	A'	1500	1439	2.28
9	A'	1489	1428	10.64
10	A'	1445	1386	2.18
11	A'	1398	1341	0.13
12	A'	1330	1276	5.53
13	A'	1246	1195	1.00
14	A'	1177	1129	13.29
15	A'	1087	1043	6.38
16	A'	921	884	11.59
17	A'	834	800	12.70
18	A'	812	779	46.63
19	A'	431	413	0.26
20	A'	269	258	0.78
21	A'	187	179	0.53
22	A'	114	110	1.10
23	A"	3154	3026	11.44
24	A"	3133	3006	16.06
25	A"	3071	2946	0.30
26	A"	3054	2930	34.16
27	A"	2960	2840	8.20
28	A"	1523	1461	23.02
29	A"	1511	1450	6.50
30	A"	1497	1436	4.59
31	A"	1483	1423	6.72
32	A"	1418	1360	11.06
33	A"	1364	1309	37.04
34	A"	1288	1236	2.78
35	A"	1190	1142	34.44
36	A"	1118	1073	6.16
37	A"	1077	1033	3.07
38	A"	960	921	0.51
39	A"	809	776	0.35
40	A"	427	409	0.63
41	A"	268	257	0.72
42	A"	109	105	1.04

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	-0.292	0.000
C2	0.018	0.521	1.218
C3	0.018	0.521	-1.218
C4	0.018	-0.372	2.460
C5	0.018	-0.372	-2.460
H6	-0.838	-0.857	0.000
H7	-0.840	1.233	1.263
H8	0.936	1.140	1.207
H9	-0.840	1.233	-1.263
H10	0.936	1.140	-1.207
H11	0.072	0.232	3.383
H12	-0.906	-0.981	2.508
H13	0.880	-1.062	2.432
H14	0.072	0.232	-3.383
H15	-0.906	-0.981	-2.508
H16	0.880	-1.062	-2.432

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4645	1.4645	2.4612	2.4612	1.0255	2.1587	2.0860	2.1587	2.0860	3.4242	2.7600	2.6926	3.4242	2.7600	2.6926
C2	1.4645		2.4364	1.5294	3.7849	2.0282	1.1164	1.1076	2.7208	2.6665	2.1852	2.1842	2.1726	4.6111	4.1222	4.0708
C3	1.4645	2.4364		3.7849	1.5294	2.0282	2.7208	2.6665	1.1164	1.1076	4.6111	4.1222	4.0708	2.1852	2.1842	2.1726
C4	2.4612	1.5294	3.7849		4.9198	2.6493	2.1785	2.1674	4.1446	4.0717	1.1048	1.1069	1.1041	5.8748	5.0897	5.0149
C5	2.4612	3.7849	1.5294	4.9198		2.6493	4.1446	4.0717	2.1785	2.1674	5.8748	5.0897	5.0149	1.1048	1.1069	1.1041
H6	1.0255	2.0282	2.0282	2.6493	2.6493		2.4422	2.9312	2.4422	2.9312	3.6688	2.5122	2.9848	3.6688	2.5122	2.9848
H7	2.1587	1.1164	2.7208	2.1785	4.1446	2.4422		1.7797	2.5269	3.0446	2.5159	2.5408	3.0971	4.8404	4.3740	4.6779
H8	2.0860	1.1076	2.6665	2.1674	4.0717	2.9312	1.7797		3.0446	2.4150	2.5113	3.0951	2.5197	4.7591	4.6577	4.2539
H9	2.1587	2.7208	1.1164	4.1446	2.1785	2.4422	2.5269	3.0446		1.7797	4.8404	4.3740	4.6779	2.5159	2.5408	3.0971
H10	2.0860	2.6665	1.1076	4.0717	2.1674	2.9312	3.0446	2.4150	1.7797		4.7591	4.6577	4.2539	2.5113	3.0951	2.5197
H11	3.4242	2.1852	4.6111	1.1048	5.8748	3.6688	2.5159	2.5113	4.8404	4.7591		1.7863	1.7975	6.7670	6.0940	6.0122
H12	2.7600	2.1842	4.1222	1.1069	5.0897	2.5122	2.5408	3.0951	4.3740	4.6577	1.7863		1.7888	6.0940	5.0164	5.2536
H13	2.6926	2.1726	4.0708	1.1041	5.0149	2.9848	3.0971	2.5197	4.6779	4.2539	1.7975	1.7888		6.0122	5.2536	4.8642
H14	3.4242	4.6111	2.1852	5.8748	1.1048	3.6688	4.8404	4.7591	2.5159	2.5113	6.7670	6.0940	6.0122		1.7863	1.7975
H15	2.7600	4.1222	2.1842	5.0897	1.1069	2.5122	4.3740	4.6577	2.5408	3.0951	6.0940	5.0164	5.2536	1.7863		1.7888
H16	2.6926	4.0708	2.1726	5.0149	1.1041	2.9848	4.6779	4.2539	3.0971	2.5197	6.0122	5.2536	4.8642	1.7975	1.7888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.569	N1	C2	H7	112.838
N1	C2	H8	107.586	N1	C3	C5	110.569
N1	C3	H9	112.838	N1	C3	H10	107.586
C2	N1	C3	112.575	C2	N1	H6	107.783
C2	C4	H11	111.076	C2	C4	H12	110.874
C2	C4	H13	110.130	C3	N1	H6	107.783
C3	C5	H14	111.076	C3	C5	H15	110.874
C3	C5	H16	110.130	C4	C2	H7	109.868
C4	C2	H8	109.519	C5	C3	H8	150.935
C5	C3	H10	109.519	H7	C2	H8	106.308
H9	C3	H10	106.308	H11	C4	H12	107.737
H11	C4	H13	108.924	H12	C4	H13	108.005
H14	C5	H15	107.737	H14	C5	H16	108.924
H15	C5	H16	108.005

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

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

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