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	hartrees
Energy at 0K	-213.513637
Energy at 298.15K	-213.526168
HF Energy	-213.513637
Nuclear repulsion energy	187.208383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3416	3377	0.30
2	A'	3069	3034	38.94
3	A'	3049	3015	60.59
4	A'	2980	2946	68.02
5	A'	2975	2941	4.29
6	A'	2843	2811	219.10
7	A'	1478	1461	2.27
8	A'	1456	1440	3.33
9	A'	1446	1429	19.01
10	A'	1379	1364	3.98
11	A'	1347	1331	0.72
12	A'	1276	1262	4.20
13	A'	1190	1176	1.77
14	A'	1125	1112	13.24
15	A'	1040	1028	8.83
16	A'	878	868	6.95
17	A'	802	793	1.00
18	A'	739	731	84.12
19	A'	416	411	0.18
20	A'	248	245	1.19
21	A'	182	180	1.02
22	A'	110	109	1.35
23	A"	3069	3034	10.72
24	A"	3049	3014	14.57
25	A"	2980	2946	9.20
26	A"	2974	2940	27.71
27	A"	2838	2806	23.86
28	A"	1467	1450	4.49
29	A"	1459	1443	8.60
30	A"	1451	1435	12.29
31	A"	1431	1415	17.82
32	A"	1363	1347	17.14
33	A"	1306	1292	27.35
34	A"	1239	1225	4.69
35	A"	1138	1125	54.46
36	A"	1077	1065	11.43
37	A"	1035	1024	3.45
38	A"	923	912	0.14
39	A"	786	777	0.33
40	A"	417	412	0.38
41	A"	250	247	0.76
42	A"	118	117	1.25

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	-0.373	2.469
C5	0.017	-0.373	-2.469
H6	-0.801	-0.902	0.000
H7	-0.842	1.231	1.274
H8	0.932	1.140	1.215
H9	-0.842	1.231	-1.274
H10	0.932	1.140	-1.215
H11	0.053	0.235	3.388
H12	-0.896	-0.992	2.517
H13	0.886	-1.050	2.461
H14	0.053	0.235	-3.388
H15	-0.896	-0.992	-2.517
H16	0.886	-1.050	-2.461

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4645	1.4645	2.4711	2.4711	1.0268	2.1565	2.0822	2.1565	2.0822	3.4277	2.7701	2.7204	3.4277	2.7701	2.7204
C2	1.4645		2.4535	1.5290	3.8020	2.0474	1.1174	1.1064	2.7390	2.6811	2.1803	2.1861	2.1766	4.6238	4.1388	4.1003
C3	1.4645	2.4535		3.8020	1.5290	2.0474	2.7390	2.6811	1.1174	1.1064	4.6238	4.1388	4.1003	2.1803	2.1861	2.1766
C4	2.4711	1.5290	3.8020		4.9388	2.6547	2.1766	2.1674	4.1624	4.0869	1.1024	1.1046	1.1021	5.8893	5.1069	5.0517
C5	2.4711	3.8020	1.5290	4.9388		2.6547	4.1624	4.0869	2.1766	2.1674	5.8893	5.1069	5.0517	1.1024	1.1046	1.1021
H6	1.0268	2.0474	2.0474	2.6547	2.6547		2.4851	2.9413	2.4851	2.9413	3.6747	2.5202	2.9872	3.6747	2.5202	2.9872
H7	2.1565	1.1174	2.7390	2.1766	4.1624	2.4851		1.7779	2.5488	3.0589	2.5020	2.5469	3.0981	4.8510	4.3951	4.7055
H8	2.0822	1.1064	2.6811	2.1674	4.0869	2.9413	1.7779		3.0589	2.4309	2.5126	3.0955	2.5197	4.7735	4.6710	4.2793
H9	2.1565	2.7390	1.1174	4.1624	2.1766	2.4851	2.5488	3.0589		1.7779	4.8510	4.3951	4.7055	2.5020	2.5469	3.0981
H10	2.0822	2.6811	1.1064	4.0869	2.1674	2.9413	3.0589	2.4309	1.7779		4.7735	4.6710	4.2793	2.5126	3.0955	2.5197
H11	3.4277	2.1803	4.6238	1.1024	5.8893	3.6747	2.5020	2.5126	4.8510	4.7735		1.7794	1.7912	6.7766	6.1055	6.0463
H12	2.7701	2.1861	4.1388	1.1046	5.1069	2.5202	2.5469	3.0955	4.3951	4.6710	1.7794		1.7845	6.1055	5.0337	5.2874
H13	2.7204	2.1766	4.1003	1.1021	5.0517	2.9872	3.0981	2.5197	4.7055	4.2793	1.7912	1.7845		6.0463	5.2874	4.9213
H14	3.4277	4.6238	2.1803	5.8893	1.1024	3.6747	4.8510	4.7735	2.5020	2.5126	6.7766	6.1055	6.0463		1.7794	1.7912
H15	2.7701	4.1388	2.1861	5.1069	1.1046	2.5202	4.3951	4.6710	2.5469	3.0955	6.1055	5.0337	5.2874	1.7794		1.7845
H16	2.7204	4.1003	2.1766	5.0517	1.1021	2.9872	4.7055	4.2793	3.0981	2.5197	6.0463	5.2874	4.9213	1.7912	1.7845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.257	N1	C2	H7	112.584
N1	C2	H8	107.359	N1	C3	C5	111.257
N1	C3	H9	112.584	N1	C3	H10	107.359
C2	N1	C3	113.786	C2	N1	H6	109.275
C2	C4	H11	110.859	C2	C4	H12	111.193
C2	C4	H13	110.594	C3	N1	H6	109.275
C3	C5	H14	110.859	C3	C5	H15	111.193
C3	C5	H16	110.594	C4	C2	H7	109.688
C4	C2	H8	109.615	C5	C3	H8	151.093
C5	C3	H10	109.615	H7	C2	H8	106.156
H9	C3	H10	106.156	H11	C4	H12	107.456
H11	C4	H13	108.683	H12	C4	H13	107.936
H14	C5	H15	107.456	H14	C5	H16	108.683
H15	C5	H16	107.936

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

using model chemistry: PBEPBE/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	-0.285
2	C	-0.132
3	C	-0.132
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
	-0.813	0.406	0.000	0.909
CHELPG
AIM
ESP

	x	y	z
x	7.977	-0.259	0.000
y	-0.259	8.885	0.000
z	0.000	0.000	10.864

<r²>	189.942
(<r²>)^1/2	13.782

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

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

States and conformations

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