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	hartrees
Energy at 0K	-213.240966
Energy at 298.15K	-213.253711
HF Energy	-212.387378
Nuclear repulsion energy	188.662800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3550	3365	0.25
2	A'	3163	2998	48.29
3	A'	3143	2980	73.41
4	A'	3096	2935	43.87
5	A'	3070	2910	14.21
6	A'	2990	2834	155.61
7	A'	1561	1479	0.82
8	A'	1530	1451	3.14
9	A'	1518	1439	10.76
10	A'	1472	1396	2.10
11	A'	1433	1358	0.80
12	A'	1349	1279	6.03
13	A'	1264	1198	1.23
14	A'	1198	1136	13.65
15	A'	1087	1031	6.05
16	A'	926	878	8.53
17	A'	848	804	7.38
18	A'	806	765	68.44
19	A'	433	410	0.31
20	A'	257	244	1.20
21	A'	189	179	0.63
22	A'	112	106	1.51
23	A"	3162	2998	9.76
24	A"	3143	2979	18.81
25	A"	3092	2931	0.79
26	A"	3069	2910	31.89
27	A"	2986	2830	8.51
28	A"	1548	1468	9.92
29	A"	1536	1456	12.36
30	A"	1527	1447	10.76
31	A"	1510	1432	14.03
32	A"	1448	1373	9.58
33	A"	1392	1320	20.49
34	A"	1308	1240	2.63
35	A"	1193	1131	40.75
36	A"	1141	1081	8.21
37	A"	1089	1032	0.93
38	A"	963	913	0.74
39	A"	825	782	0.43
40	A"	433	410	0.45
41	A"	257	244	0.53
42	A"	98	93	1.11

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.288	0.000
C2	0.017	0.517	1.216
C3	0.017	0.517	-1.216
C4	0.017	-0.369	2.453
C5	0.017	-0.369	-2.453
H6	-0.803	-0.884	0.000
H7	-0.837	1.212	1.255
H8	0.923	1.129	1.204
H9	-0.837	1.212	-1.255
H10	0.923	1.129	-1.204
H11	0.055	0.236	3.361
H12	-0.889	-0.979	2.495
H13	0.879	-1.037	2.438
H14	0.055	0.236	-3.361
H15	-0.889	-0.979	-2.495
H16	0.879	-1.037	-2.438

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4578	1.4578	2.4547	2.4547	1.0144	2.1336	2.0683	2.1336	2.0683	3.4021	2.7430	2.6923	3.4021	2.7430	2.6923
C2	1.4578		2.4317	1.5217	3.7745	2.0282	1.1021	1.0936	2.7050	2.6556	2.1643	2.1665	2.1566	4.5861	4.1021	4.0631
C3	1.4578	2.4317		3.7745	1.5217	2.0282	2.7050	2.6556	1.1021	1.0936	4.5861	4.1021	4.0631	2.1643	2.1665	2.1566
C4	2.4547	1.5217	3.7745		4.9066	2.6377	2.1597	2.1506	4.1204	4.0549	1.0915	1.0931	1.0905	5.8462	5.0674	5.0115
C5	2.4547	3.7745	1.5217	4.9066		2.6377	4.1204	4.0549	2.1597	2.1506	5.8462	5.0674	5.0115	1.0915	1.0931	1.0905
H6	1.0144	2.0282	2.0282	2.6377	2.6377		2.4430	2.9127	2.4430	2.9127	3.6456	2.4982	2.9658	3.6456	2.4982	2.9658
H7	2.1336	1.1021	2.7050	2.1597	4.1204	2.4430		1.7630	2.5096	3.0252	2.4874	2.5175	3.0663	4.8020	4.3429	4.6519
H8	2.0683	1.0936	2.6556	2.1506	4.0549	2.9127	1.7630		3.0252	2.4083	2.4911	3.0648	2.4939	4.7325	4.6271	4.2382
H9	2.1336	2.7050	1.1021	4.1204	2.1597	2.4430	2.5096	3.0252		1.7630	4.8020	4.3429	4.6519	2.4874	2.5175	3.0663
H10	2.0683	2.6556	1.0936	4.0549	2.1506	2.9127	3.0252	2.4083	1.7630		4.7325	4.6271	4.2382	2.4911	3.0648	2.4939
H11	3.4021	2.1643	4.5861	1.0915	5.8462	3.6456	2.4874	2.4911	4.8020	4.7325		1.7655	1.7751	6.7229	6.0550	5.9944
H12	2.7430	2.1665	4.1021	1.0931	5.0674	2.4982	2.5175	3.0648	4.3429	4.6271	1.7655		1.7695	6.0550	4.9899	5.2405
H13	2.6923	2.1566	4.0631	1.0905	5.0115	2.9658	3.0663	2.4939	4.6519	4.2382	1.7751	1.7695		5.9944	5.2405	4.8762
H14	3.4021	4.5861	2.1643	5.8462	1.0915	3.6456	4.8020	4.7325	2.4874	2.4911	6.7229	6.0550	5.9944		1.7655	1.7751
H15	2.7430	4.1021	2.1665	5.0674	1.0931	2.4982	4.3429	4.6271	2.5175	3.0648	6.0550	4.9899	5.2405	1.7655		1.7695
H16	2.6923	4.0631	2.1566	5.0115	1.0905	2.9658	4.6519	4.2382	3.0663	2.4939	5.9944	5.2405	4.8762	1.7751	1.7695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.931	N1	C2	H7	112.169
N1	C2	H8	107.466	N1	C3	C5	110.931
N1	C3	H9	112.169	N1	C3	H10	107.466
C2	N1	C3	113.034	C2	N1	H6	108.937
C2	C4	H11	110.754	C2	C4	H12	110.832
C2	C4	H13	110.209	C3	N1	H6	108.937
C3	C5	H14	110.754	C3	C5	H15	110.832
C3	C5	H16	110.209	C4	C2	H7	109.765
C4	C2	H8	109.554	C5	C3	H8	151.085
C5	C3	H10	109.554	H7	C2	H8	106.821
H9	C3	H10	106.821	H11	C4	H12	107.825
H11	C4	H13	108.881	H12	C4	H13	108.259
H14	C5	H15	107.825	H14	C5	H16	108.881
H15	C5	H16	108.259

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

using model chemistry: CCD/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: CCD/TZVP

States and conformations

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