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	hartrees
Energy at 0K	-213.513622
Energy at 298.15K	-213.526142
HF Energy	-213.513622
Nuclear repulsion energy	187.205386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3416	3377	0.29
2	A'	3069	3034	39.15
3	A'	3048	3014	60.37
4	A'	2979	2945	68.66
5	A'	2974	2940	3.77
6	A'	2843	2811	219.09
7	A'	1477	1460	2.32
8	A'	1456	1439	3.24
9	A'	1446	1429	18.94
10	A'	1379	1363	3.95
11	A'	1346	1331	0.80
12	A'	1276	1262	4.28
13	A'	1189	1176	1.74
14	A'	1125	1112	13.27
15	A'	1040	1028	8.86
16	A'	878	868	6.69
17	A'	800	791	1.01
18	A'	738	730	84.25
19	A'	416	411	0.18
20	A'	250	247	1.18
21	A'	181	179	1.02
22	A'	109	108	1.37
23	A"	3069	3034	10.61
24	A"	3048	3013	14.70
25	A"	2979	2945	10.60
26	A"	2973	2939	26.29
27	A"	2838	2806	23.86
28	A"	1467	1450	4.37
29	A"	1458	1441	7.41
30	A"	1451	1434	13.17
31	A"	1430	1414	18.51
32	A"	1361	1346	17.22
33	A"	1306	1291	27.21
34	A"	1240	1226	4.78
35	A"	1138	1125	54.31
36	A"	1077	1065	11.20
37	A"	1035	1023	3.54
38	A"	923	912	0.13
39	A"	785	776	0.34
40	A"	417	412	0.39
41	A"	251	248	0.72
42	A"	112	111	1.31

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.282	0.000
C2	0.017	0.518	1.227
C3	0.017	0.518	-1.227
C4	0.017	-0.372	2.470
C5	0.017	-0.372	-2.470
H6	-0.801	-0.902	0.000
H7	-0.842	1.231	1.274
H8	0.932	1.139	1.215
H9	-0.842	1.231	-1.274
H10	0.932	1.139	-1.215
H11	0.051	0.237	3.388
H12	-0.896	-0.992	2.517
H13	0.887	-1.049	2.463
H14	0.051	0.237	-3.388
H15	-0.896	-0.992	-2.517
H16	0.887	-1.049	-2.463

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4645	1.4645	2.4714	2.4714	1.0268	2.1565	2.0822	2.1565	2.0822	3.4279	2.7701	2.7218	3.4279	2.7701	2.7218
C2	1.4645		2.4531	1.5290	3.8019	2.0473	1.1175	1.1064	2.7384	2.6806	2.1801	2.1863	2.1768	4.6234	4.1388	4.1012
C3	1.4645	2.4531		3.8019	1.5290	2.0473	2.7384	2.6806	1.1175	1.1064	4.6234	4.1388	4.1012	2.1801	2.1863	2.1768
C4	2.4714	1.5290	3.8019		4.9395	2.6553	2.1765	2.1672	4.1621	4.0867	1.1025	1.1047	1.1021	5.8896	5.1076	5.0539
C5	2.4714	3.8019	1.5290	4.9395		2.6553	4.1621	4.0867	2.1765	2.1672	5.8896	5.1076	5.0539	1.1025	1.1047	1.1021
H6	1.0268	2.0473	2.0473	2.6553	2.6553		2.4849	2.9413	2.4849	2.9413	3.6748	2.5205	2.9893	3.6748	2.5205	2.9893
H7	2.1565	1.1175	2.7384	2.1765	4.1621	2.4849		1.7779	2.5479	3.0582	2.5012	2.5476	3.0981	4.8499	4.3951	4.7061
H8	2.0822	1.1064	2.6806	2.1672	4.0867	2.9413	1.7779		3.0582	2.4302	2.5127	3.0955	2.5191	4.7730	4.6708	4.2796
H9	2.1565	2.7384	1.1175	4.1621	2.1765	2.4849	2.5479	3.0582		1.7779	4.8499	4.3951	4.7061	2.5012	2.5476	3.0981
H10	2.0822	2.6806	1.1064	4.0867	2.1672	2.9413	3.0582	2.4302	1.7779		4.7730	4.6708	4.2796	2.5127	3.0955	2.5191
H11	3.4279	2.1801	4.6234	1.1025	5.8896	3.6748	2.5012	2.5127	4.8499	4.7730		1.7793	1.7911	6.7764	6.1058	6.0483
H12	2.7701	2.1863	4.1388	1.1047	5.1076	2.5205	2.5476	3.0955	4.3951	4.6708	1.7793		1.7846	6.1058	5.0343	5.2895
H13	2.7218	2.1768	4.1012	1.1021	5.0539	2.9893	3.0981	2.5191	4.7061	4.2796	1.7911	1.7846		6.0483	5.2895	4.9250
H14	3.4279	4.6234	2.1801	5.8896	1.1025	3.6748	4.8499	4.7730	2.5012	2.5127	6.7764	6.1058	6.0483		1.7793	1.7911
H15	2.7701	4.1388	2.1863	5.1076	1.1047	2.5205	4.3951	4.6708	2.5476	3.0955	6.1058	5.0343	5.2895	1.7793		1.7846
H16	2.7218	4.1012	2.1768	5.0539	1.1021	2.9893	4.7061	4.2796	3.0981	2.5191	6.0483	5.2895	4.9250	1.7911	1.7846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.282	N1	C2	H7	112.586
N1	C2	H8	107.356	N1	C3	C5	111.282
N1	C3	H9	112.586	N1	C3	H10	107.356
C2	N1	C3	113.760	C2	N1	H6	109.268
C2	C4	H11	110.849	C2	C4	H12	111.204
C2	C4	H13	110.609	C3	N1	H6	109.268
C3	C5	H14	110.849	C3	C5	H15	111.204
C3	C5	H16	110.609	C4	C2	H7	109.680
C4	C2	H8	109.598	C5	C3	H8	151.117
C5	C3	H10	109.598	H7	C2	H8	106.155
H9	C3	H10	106.155	H11	C4	H12	107.447
H11	C4	H13	108.674	H12	C4	H13	107.936
H14	C5	H15	107.447	H14	C5	H16	108.674
H15	C5	H16	107.936

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

using model chemistry: PBEPBEultrafine/6-31+G**

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	-0.286
2	C	-0.131
3	C	-0.131
4	C	-0.673
5	C	-0.673
6	H	0.276
7	H	0.138
8	H	0.154
9	H	0.138
10	H	0.154
11	H	0.167
12	H	0.162
13	H	0.188
14	H	0.167
15	H	0.162
16	H	0.188

	x	y	z	Total
	-0.814	0.407	0.000	0.910
CHELPG
AIM
ESP

	x	y	z
x	7.976	-0.259	0.000
y	-0.259	8.883	0.000
z	0.000	0.000	10.863

<r²>	189.963
(<r²>)^1/2	13.783

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

using model chemistry: PBEPBEultrafine/6-31+G**

States and conformations

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