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	hartrees
Energy at 0K	-212.401183
Energy at 298.15K	-212.414168
HF Energy	-212.401183
Nuclear repulsion energy	189.451110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3740	3390	0.10
2	A'	3231	2928	80.91
3	A'	3212	2912	113.98
4	A'	3174	2877	46.14
5	A'	3156	2861	23.08
6	A'	3075	2787	182.07
7	A'	1651	1496	1.08
8	A'	1615	1464	2.98
9	A'	1607	1456	11.08
10	A'	1561	1415	2.16
11	A'	1520	1378	0.48
12	A'	1429	1295	5.84
13	A'	1329	1205	2.47
14	A'	1269	1150	18.53
15	A'	1123	1018	6.50
16	A'	961	871	2.68
17	A'	889	805	3.44
18	A'	816	740	79.36
19	A'	450	408	0.45
20	A'	276	250	1.22
21	A'	199	181	0.87
22	A'	119	108	1.50
23	A"	3230	2928	11.63
24	A"	3211	2910	35.19
25	A"	3167	2871	2.07
26	A"	3155	2860	39.07
27	A"	3066	2779	7.08
28	A"	1644	1490	41.68
29	A"	1637	1484	0.64
30	A"	1612	1461	3.63
31	A"	1601	1452	8.77
32	A"	1535	1392	9.21
33	A"	1481	1342	24.72
34	A"	1392	1262	2.26
35	A"	1249	1132	58.04
36	A"	1209	1096	7.13
37	A"	1146	1038	0.04
38	A"	1000	906	0.72
39	A"	865	784	0.43
40	A"	457	414	0.23
41	A"	276	250	0.55
42	A"	113	102	0.87

Atom	x (Å)	y (Å)	z (Å)
N1	0.034	-0.273	0.000
C2	0.014	0.516	1.212
C3	0.014	0.516	-1.212
C4	0.014	-0.372	2.442
C5	0.014	-0.372	-2.442
H6	-0.743	-0.900	0.000
H7	-0.845	1.189	1.247
H8	0.898	1.143	1.217
H9	-0.845	1.189	-1.247
H10	0.898	1.143	-1.217
H11	0.019	0.227	3.345
H12	-0.869	-1.002	2.469
H13	0.884	-1.015	2.449
H14	0.019	0.227	-3.345
H15	-0.869	-1.002	-2.469
H16	0.884	-1.015	-2.449

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4464	1.4464	2.4446	2.4446	0.9979	2.1134	2.0575	2.1134	2.0575	3.3825	2.7284	2.6962	3.3825	2.7284	2.6962
C2	1.4464		2.4245	1.5170	3.7609	2.0113	1.0921	1.0842	2.6910	2.6600	2.1526	2.1592	2.1515	4.5668	4.0787	4.0624
C3	1.4464	2.4245		3.7609	1.5170	2.0113	2.6910	2.6600	1.0921	1.0842	4.5668	4.0787	4.0624	2.1526	2.1592	2.1515
C4	2.4446	1.5170	3.7609		4.8850	2.6109	2.1452	2.1400	4.0975	4.0580	1.0832	1.0850	1.0820	5.8187	5.0302	5.0095
C5	2.4446	3.7609	1.5170	4.8850		2.6109	4.0975	4.0580	2.1452	2.1400	5.8187	5.0302	5.0095	1.0832	1.0850	1.0820
H6	0.9979	2.0113	2.0113	2.6109	2.6109		2.4349	2.8890	2.4349	2.8890	3.6111	2.4747	2.9421	3.6111	2.4747	2.9421
H7	2.1134	1.0921	2.6910	2.1452	4.0975	2.4349		1.7441	2.4949	3.0188	2.4645	2.5083	3.0480	4.7714	4.3142	4.6378
H8	2.0575	1.0842	2.6600	2.1400	4.0580	2.8890	1.7441		3.0188	2.4336	2.4787	3.0483	2.4851	4.7357	4.6164	4.2537
H9	2.1134	2.6910	1.0921	4.0975	2.1452	2.4349	2.4949	3.0188		1.7441	4.7714	4.3142	4.6378	2.4645	2.5083	3.0480
H10	2.0575	2.6600	1.0842	4.0580	2.1400	2.8890	3.0188	2.4336	1.7441		4.7357	4.6164	4.2537	2.4787	3.0483	2.4851
H11	3.3825	2.1526	4.5668	1.0832	5.8187	3.6111	2.4645	2.4787	4.7714	4.7357		1.7505	1.7589	6.6907	6.0090	5.9885
H12	2.7284	2.1592	4.0787	1.0850	5.0302	2.4747	2.5083	3.0483	4.3142	4.6164	1.7505		1.7535	6.0090	4.9387	5.2214
H13	2.6962	2.1515	4.0624	1.0820	5.0095	2.9421	3.0480	2.4851	4.6378	4.2537	1.7589	1.7535		5.9885	5.2214	4.8976
H14	3.3825	4.5668	2.1526	5.8187	1.0832	3.6111	4.7714	4.7357	2.4645	2.4787	6.6907	6.0090	5.9885		1.7505	1.7589
H15	2.7284	4.0787	2.1592	5.0302	1.0850	2.4747	4.3142	4.6164	2.5083	3.0483	6.0090	4.9387	5.2214	1.7505		1.7535
H16	2.6962	4.0624	2.1515	5.0095	1.0820	2.9421	4.6378	4.2537	3.0480	2.4851	5.9885	5.2214	4.8976	1.7589	1.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.141	N1	C2	H7	111.965
N1	C2	H8	107.934	N1	C3	C5	111.141
N1	C3	H9	111.965	N1	C3	H10	107.934
C2	N1	C3	113.882	C2	N1	H6	109.372
C2	C4	H11	110.659	C2	C4	H12	111.078
C2	C4	H13	110.633	C3	N1	H6	109.372
C3	C5	H14	110.659	C3	C5	H15	111.078
C3	C5	H16	110.633	C4	C2	H7	109.543
C4	C2	H8	109.591	C5	C3	H8	151.476
C5	C3	H10	109.591	H7	C2	H8	106.530
H9	C3	H10	106.530	H11	C4	H12	107.678
H11	C4	H13	108.649	H12	C4	H13	108.037
H14	C5	H15	107.678	H14	C5	H16	108.649
H15	C5	H16	108.037

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

using model chemistry: HF/Def2TZVPP

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	-0.310
2	C	0.067
3	C	0.067
4	C	-0.167
5	C	-0.167
6	H	0.109
7	H	0.018
8	H	0.035
9	H	0.018
10	H	0.035
11	H	0.049
12	H	0.036
13	H	0.062
14	H	0.049
15	H	0.036
16	H	0.062

	x	y	z	Total
	-0.826	0.411	0.000	0.922
CHELPG
AIM
ESP

	x	y	z
x	7.418	0.015	0.000
y	0.015	7.890	0.000
z	0.000	0.000	9.786

<r²>	186.305
(<r²>)^1/2	13.649

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

using model chemistry: HF/Def2TZVPP

States and conformations

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