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	hartrees
Energy at 0K	-213.544996
Energy at 298.15K	-213.557718
HF Energy	-213.544996
Nuclear repulsion energy	188.777120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3509	3337	1.31
2	A'	3165	3010	40.67
3	A'	3143	2989	63.44
4	A'	3077	2926	65.51
5	A'	3068	2917	8.14
6	A'	2952	2807	174.92
7	A'	1557	1480	1.02
8	A'	1529	1454	2.53
9	A'	1518	1444	14.45
10	A'	1455	1383	3.21
11	A'	1415	1346	0.59
12	A'	1338	1273	3.61
13	A'	1252	1190	1.44
14	A'	1185	1127	16.14
15	A'	1087	1034	6.37
16	A'	919	874	9.52
17	A'	836	795	1.75
18	A'	787	748	80.71
19	A'	431	410	0.31
20	A'	262	249	1.13
21	A'	187	178	0.95
22	A'	114	109	1.22
23	A"	3165	3010	11.07
24	A"	3142	2988	15.18
25	A"	3075	2924	4.28
26	A"	3067	2917	24.74
27	A"	2946	2801	13.63
28	A"	1545	1469	8.24
29	A"	1533	1458	9.79
30	A"	1524	1450	9.33
31	A"	1504	1431	17.44
32	A"	1435	1365	16.00
33	A"	1374	1306	31.27
34	A"	1299	1235	4.14
35	A"	1200	1141	46.45
36	A"	1128	1073	8.31
37	A"	1083	1030	4.88
38	A"	963	916	0.08
39	A"	816	776	0.44
40	A"	429	408	0.56
41	A"	264	251	0.71
42	A"	122	116	1.22

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.280	0.000
C2	0.017	0.516	1.214
C3	0.017	0.516	-1.214
C4	0.017	-0.372	2.446
C5	0.017	-0.372	-2.446
H6	-0.803	-0.883	0.000
H7	-0.833	1.226	1.262
H8	0.927	1.132	1.205
H9	-0.833	1.226	-1.262
H10	0.927	1.132	-1.205
H11	0.062	0.227	3.362
H12	-0.894	-0.982	2.494
H13	0.876	-1.050	2.427
H14	0.062	0.227	-3.362
H15	-0.894	-0.982	-2.494
H16	0.876	-1.050	-2.427

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4514	1.4514	2.4479	2.4479	1.0184	2.1411	2.0671	2.1411	2.0671	3.4003	2.7461	2.6871	3.4003	2.7461	2.6871
C2	1.4514		2.4270	1.5192	3.7659	2.0258	1.1084	1.0984	2.7122	2.6565	2.1685	2.1709	2.1593	4.5850	4.1009	4.0550
C3	1.4514	2.4270		3.7659	1.5192	2.0258	2.7122	2.6565	1.1084	1.0984	4.5850	4.1009	4.0550	2.1685	2.1709	2.1593
C4	2.4479	1.5192	3.7659		4.8924	2.6303	2.1627	2.1513	4.1267	4.0523	1.0949	1.0971	1.0943	5.8392	5.0601	4.9945
C5	2.4479	3.7659	1.5192	4.8924		2.6303	4.1267	4.0523	2.1627	2.1513	5.8392	5.0601	4.9945	1.0949	1.0971	1.0943
H6	1.0184	2.0258	2.0258	2.6303	2.6303		2.4585	2.9165	2.4585	2.9165	3.6446	2.4973	2.9558	3.6446	2.4973	2.9558
H7	2.1411	1.1084	2.7122	2.1627	4.1267	2.4585		1.7629	2.5248	3.0321	2.4916	2.5291	3.0750	4.8151	4.3576	4.6595
H8	2.0671	1.0984	2.6565	2.1513	4.0523	2.9165	1.7629		3.0321	2.4105	2.4939	3.0727	2.5010	4.7359	4.6329	4.2374
H9	2.1411	2.7122	1.1084	4.1267	2.1627	2.4585	2.5248	3.0321		1.7629	4.8151	4.3576	4.6595	2.4916	2.5291	3.0750
H10	2.0671	2.6565	1.0984	4.0523	2.1513	2.9165	3.0321	2.4105	1.7629		4.7359	4.6329	4.2374	2.4939	3.0727	2.5010
H11	3.4003	2.1685	4.5850	1.0949	5.8392	3.6446	2.4916	2.4939	4.8151	4.7359		1.7682	1.7794	6.7242	6.0550	5.9837
H12	2.7461	2.1709	4.1009	1.0971	5.0601	2.4973	2.5291	3.0727	4.3576	4.6329	1.7682		1.7717	6.0550	4.9875	5.2295
H13	2.6871	2.1593	4.0550	1.0943	4.9945	2.9558	3.0750	2.5010	4.6595	4.2374	1.7794	1.7717		5.9837	5.2295	4.8539
H14	3.4003	4.5850	2.1685	5.8392	1.0949	3.6446	4.8151	4.7359	2.4916	2.4939	6.7242	6.0550	5.9837		1.7682	1.7794
H15	2.7461	4.1009	2.1709	5.0601	1.0971	2.4973	4.3576	4.6329	2.5291	3.0727	6.0550	4.9875	5.2295	1.7682		1.7717
H16	2.6871	4.0550	2.1593	4.9945	1.0943	2.9558	4.6595	4.2374	3.0750	2.5010	5.9837	5.2295	4.8539	1.7794	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.965	N1	C2	H7	112.847
N1	C2	H8	107.524	N1	C3	C5	110.965
N1	C3	H9	112.847	N1	C3	H10	107.524
C2	N1	C3	113.466	C2	N1	H6	108.963
C2	C4	H11	111.061	C2	C4	H12	111.114
C2	C4	H13	110.366	C3	N1	H6	108.963
C3	C5	H14	111.061	C3	C5	H15	111.114
C3	C5	H16	110.366	C4	C2	H7	109.796
C4	C2	H8	109.488	C5	C3	H8	150.951
C5	C3	H10	109.488	H7	C2	H8	106.038
H9	C3	H10	106.038	H11	C4	H12	107.544
H11	C4	H13	108.747	H12	C4	H13	107.894
H14	C5	H15	107.544	H14	C5	H16	108.747
H15	C5	H16	107.894

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	N	-0.564
2	C	-0.163
3	C	-0.163
4	C	-0.522
5	C	-0.522
6	H	0.307
7	H	0.134
8	H	0.165
9	H	0.134
10	H	0.165
11	H	0.169
12	H	0.162
13	H	0.185
14	H	0.169
15	H	0.162
16	H	0.185

	x	y	z	Total
	-0.822	0.365	0.000	0.900
CHELPG
AIM
ESP

	x	y	z
x	6.789	0.118	0.000
y	0.118	7.144	0.000
z	0.000	0.000	9.064

<r²>	186.140
(<r²>)^1/2	13.643

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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