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	hartrees
Energy at 0K	-213.813006
Energy at 298.15K	-213.825694
HF Energy	-213.813006
Nuclear repulsion energy	187.948963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3488	3351	1.85
2	A'	3130	3008	48.00
3	A'	3108	2986	68.95
4	A'	3046	2927	73.72
5	A'	3040	2921	3.21
6	A'	2922	2807	177.42
7	A'	1544	1484	0.28
8	A'	1516	1456	1.97
9	A'	1506	1447	10.63
10	A'	1442	1385	2.62
11	A'	1409	1354	0.12
12	A'	1326	1274	3.36
13	A'	1239	1190	1.58
14	A'	1171	1125	13.40
15	A'	1057	1016	5.19
16	A'	908	873	7.88
17	A'	831	798	0.94
18	A'	771	741	79.40
19	A'	425	409	0.23
20	A'	260	249	0.99
21	A'	187	179	0.94
22	A'	112	107	1.16
23	A"	3130	3008	11.10
24	A"	3108	2986	18.08
25	A"	3043	2924	17.33
26	A"	3038	2919	12.88
27	A"	2915	2801	14.67
28	A"	1532	1472	5.60
29	A"	1517	1458	7.34
30	A"	1512	1452	9.10
31	A"	1488	1430	19.50
32	A"	1424	1369	9.75
33	A"	1365	1312	37.18
34	A"	1290	1239	3.78
35	A"	1164	1118	48.58
36	A"	1119	1075	12.93
37	A"	1069	1027	1.73
38	A"	945	908	0.42
39	A"	814	782	0.43
40	A"	427	411	0.42
41	A"	261	251	0.69
42	A"	120	115	1.12

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.279	0.000
C2	0.017	0.519	1.223
C3	0.017	0.519	-1.223
C4	0.017	-0.374	2.461
C5	0.017	-0.374	-2.461
H6	-0.803	-0.884	0.000
H7	-0.833	1.227	1.275
H8	0.926	1.136	1.217
H9	-0.833	1.227	-1.275
H10	0.926	1.136	-1.217
H11	0.058	0.225	3.376
H12	-0.892	-0.986	2.507
H13	0.876	-1.051	2.446
H14	0.058	0.225	-3.376
H15	-0.892	-0.986	-2.507
H16	0.876	-1.051	-2.446

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4603	1.4603	2.4631	2.4631	1.0191	2.1487	2.0754	2.1487	2.0754	3.4138	2.7594	2.7050	3.4138	2.7594	2.7050
C2	1.4603		2.4467	1.5265	3.7913	2.0338	1.1080	1.0981	2.7328	2.6763	2.1733	2.1771	2.1673	4.6092	4.1243	4.0824
C3	1.4603	2.4467		3.7913	1.5265	2.0338	2.7328	2.6763	1.1080	1.0981	4.6092	4.1243	4.0824	2.1733	2.1771	2.1673
C4	2.4631	1.5265	3.7913		4.9224	2.6437	2.1669	2.1572	4.1533	4.0789	1.0945	1.0967	1.0938	5.8683	5.0881	5.0274
C5	2.4631	3.7913	1.5265	4.9224		2.6437	4.1533	4.0789	2.1669	2.1572	5.8683	5.0881	5.0274	1.0945	1.0967	1.0938
H6	1.0191	2.0338	2.0338	2.6437	2.6437		2.4667	2.9236	2.4667	2.9236	3.6564	2.5111	2.9715	3.6564	2.5111	2.9715
H7	2.1487	1.1080	2.7328	2.1669	4.1533	2.4667		1.7620	2.5505	3.0519	2.4930	2.5340	3.0796	4.8412	4.3831	4.6861
H8	2.0754	1.0981	2.6763	2.1572	4.0789	2.9236	1.7620		3.0519	2.4346	2.4987	3.0773	2.5086	4.7627	4.6561	4.2665
H9	2.1487	2.7328	1.1080	4.1533	2.1669	2.4667	2.5505	3.0519		1.7620	4.8412	4.3831	4.6861	2.4930	2.5340	3.0796
H10	2.0754	2.6763	1.0981	4.0789	2.1572	2.9236	3.0519	2.4346	1.7620		4.7627	4.6561	4.2665	2.4987	3.0773	2.5086
H11	3.4138	2.1733	4.6092	1.0945	5.8683	3.6564	2.4930	2.4987	4.8412	4.7627		1.7673	1.7782	6.7526	6.0817	6.0161
H12	2.7594	2.1771	4.1243	1.0967	5.0881	2.5111	2.5340	3.0773	4.3831	4.6561	1.7673		1.7708	6.0817	5.0149	5.2599
H13	2.7050	2.1673	4.0824	1.0938	5.0274	2.9715	3.0796	2.5086	4.6861	4.2665	1.7782	1.7708		6.0161	5.2599	4.8917
H14	3.4138	4.6092	2.1733	5.8683	1.0945	3.6564	4.8412	4.7627	2.4930	2.4987	6.7526	6.0817	6.0161		1.7673	1.7782
H15	2.7594	4.1243	2.1771	5.0881	1.0967	2.5111	4.3831	4.6561	2.5340	3.0773	6.0817	5.0149	5.2599	1.7673		1.7708
H16	2.7050	4.0824	2.1673	5.0274	1.0938	2.9715	4.6861	4.2665	3.0796	2.5086	6.0161	5.2599	4.8917	1.7782	1.7708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.087	N1	C2	H7	112.858
N1	C2	H8	107.587	N1	C3	C5	111.087
N1	C3	H9	112.858	N1	C3	H10	107.587
C2	N1	C3	113.808	C2	N1	H6	108.922
C2	C4	H11	110.959	C2	C4	H12	111.129
C2	C4	H13	110.519	C3	N1	H6	108.922
C3	C5	H14	110.959	C3	C5	H15	111.129
C3	C5	H16	110.519	C4	C2	H7	109.651
C4	C2	H8	109.463	C5	C3	H8	150.972
C5	C3	H10	109.463	H7	C2	H8	106.007
H9	C3	H10	106.007	H11	C4	H12	107.525
H11	C4	H13	108.705	H12	C4	H13	107.884
H14	C5	H15	107.525	H14	C5	H16	108.705
H15	C5	H16	107.884

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

using model chemistry: B3LYP/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	-0.496
2	C	-0.022
3	C	-0.022
4	C	-0.328
5	C	-0.328
6	H	0.226
7	H	0.068
8	H	0.099
9	H	0.068
10	H	0.099
11	H	0.101
12	H	0.098
13	H	0.119
14	H	0.101
15	H	0.098
16	H	0.119

	x	y	z	Total
	-0.783	0.344	0.000	0.855
CHELPG
AIM
ESP

	x	y	z
x	6.884	0.126	0.000
y	0.126	7.256	0.000
z	0.000	0.000	9.323

<r²>	188.132
(<r²>)^1/2	13.716

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

using model chemistry: B3LYP/6-31G**

States and conformations

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