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	hartrees
Energy at 0K	-213.152649
Energy at 298.15K	-213.165416
HF Energy	-212.330532
Nuclear repulsion energy	187.593787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3513	3361	0.76
2	A'	3167	3030	40.93
3	A'	3146	3010	64.76
4	A'	3086	2953	52.64
5	A'	3065	2932	14.93
6	A'	2979	2850	154.51
7	A'	1533	1467	0.56
8	A'	1502	1437	2.36
9	A'	1491	1427	10.84
10	A'	1449	1386	2.10
11	A'	1402	1341	0.19
12	A'	1334	1276	5.55
13	A'	1249	1195	1.01
14	A'	1181	1130	14.21
15	A'	1092	1045	6.14
16	A'	923	883	11.33
17	A'	837	800	13.60
18	A'	813	778	45.89
19	A'	432	414	0.29
20	A'	269	257	0.82
21	A'	187	179	0.56
22	A'	115	110	1.13
23	A"	3167	3030	11.13
24	A"	3146	3010	14.63
25	A"	3083	2950	0.32
26	A"	3064	2932	32.20
27	A"	2974	2845	7.25
28	A"	1527	1461	26.04
29	A"	1515	1449	5.12
30	A"	1499	1434	4.38
31	A"	1486	1422	6.22
32	A"	1421	1360	11.66
33	A"	1370	1310	34.16
34	A"	1291	1235	2.54
35	A"	1197	1145	33.47
36	A"	1122	1073	5.78
37	A"	1080	1033	3.02
38	A"	963	922	0.41
39	A"	811	776	0.37
40	A"	428	409	0.63
41	A"	268	256	0.71
42	A"	109	104	1.03

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	-0.292	0.000
C2	0.018	0.520	1.217
C3	0.018	0.520	-1.217
C4	0.018	-0.372	2.459
C5	0.018	-0.372	-2.459
H6	-0.836	-0.858	0.000
H7	-0.840	1.232	1.263
H8	0.936	1.139	1.208
H9	-0.840	1.232	-1.263
H10	0.936	1.139	-1.208
H11	0.071	0.232	3.382
H12	-0.905	-0.981	2.508
H13	0.880	-1.061	2.433
H14	0.071	0.232	-3.382
H15	-0.905	-0.981	-2.508
H16	0.880	-1.061	-2.433

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4633	1.4633	2.4608	2.4608	1.0246	2.1569	2.0851	2.1569	2.0851	3.4230	2.7594	2.6931	3.4230	2.7594	2.6931
C2	1.4633		2.4350	1.5292	3.7836	2.0274	1.1157	1.1071	2.7191	2.6658	2.1845	2.1838	2.1723	4.6091	4.1208	4.0701
C3	1.4633	2.4350		3.7836	1.5292	2.0274	2.7191	2.6658	1.1157	1.1071	4.6091	4.1208	4.0701	2.1845	2.1838	2.1723
C4	2.4608	1.5292	3.7836		4.9189	2.6484	2.1778	2.1664	4.1428	4.0710	1.1043	1.1063	1.1036	5.8731	5.0886	5.0150
C5	2.4608	3.7836	1.5292	4.9189		2.6484	4.1428	4.0710	2.1778	2.1664	5.8731	5.0886	5.0150	1.1043	1.1063	1.1036
H6	1.0246	2.0274	2.0274	2.6484	2.6484		2.4419	2.9300	2.4419	2.9300	3.6674	2.5116	2.9840	3.6674	2.5116	2.9840
H7	2.1569	1.1157	2.7191	2.1778	4.1428	2.4419		1.7788	2.5250	3.0434	2.5147	2.5405	3.0959	4.8378	4.3724	4.6765
H8	2.0851	1.1071	2.6658	2.1664	4.0710	2.9300	1.7788		3.0434	2.4151	2.5100	3.0938	2.5184	4.7579	4.6566	4.2536
H9	2.1569	2.7191	1.1157	4.1428	2.1778	2.4419	2.5250	3.0434		1.7788	4.8378	4.3724	4.6765	2.5147	2.5405	3.0959
H10	2.0851	2.6658	1.1071	4.0710	2.1664	2.9300	3.0434	2.4151	1.7788		4.7579	4.6566	4.2536	2.5100	3.0938	2.5184
H11	3.4230	2.1845	4.6091	1.1043	5.8731	3.6674	2.5147	2.5100	4.8378	4.7579		1.7855	1.7964	6.7646	6.0921	6.0116
H12	2.7594	2.1838	4.1208	1.1063	5.0886	2.5116	2.5405	3.0938	4.3724	4.6566	1.7855		1.7879	6.0921	5.0153	5.2534
H13	2.6931	2.1723	4.0701	1.1036	5.0150	2.9840	3.0959	2.5184	4.6765	4.2536	1.7964	1.7879		6.0116	5.2534	4.8654
H14	3.4230	4.6091	2.1845	5.8731	1.1043	3.6674	4.8378	4.7579	2.5147	2.5100	6.7646	6.0921	6.0116		1.7855	1.7964
H15	2.7594	4.1208	2.1838	5.0886	1.1063	2.5116	4.3724	4.6566	2.5405	3.0938	6.0921	5.0153	5.2534	1.7855		1.7879
H16	2.6931	4.0701	2.1723	5.0150	1.1036	2.9840	4.6765	4.2536	3.0959	2.5184	6.0116	5.2534	4.8654	1.7964	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.611	N1	C2	H7	112.813
N1	C2	H8	107.617	N1	C3	C5	110.611
N1	C3	H9	112.813	N1	C3	H10	107.617
C2	N1	C3	112.614	C2	N1	H6	107.851
C2	C4	H11	111.070	C2	C4	H12	110.886
C2	C4	H13	110.140	C3	N1	H6	107.851
C3	C5	H14	111.070	C3	C5	H15	110.886
C3	C5	H16	110.140	C4	C2	H7	109.860
C4	C2	H8	109.480	C5	C3	H8	150.956
C5	C3	H10	109.480	H7	C2	H8	106.306
H9	C3	H10	106.306	H11	C4	H12	107.742
H11	C4	H13	108.906	H12	C4	H13	108.001
H14	C5	H15	107.742	H14	C5	H16	108.906
H15	C5	H16	108.001

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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