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	hartrees
Energy at 0K	-213.726664
Energy at 298.15K	-213.739409
HF Energy	-213.726664
Nuclear repulsion energy	188.793151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3530	3530	0.60
2	A'	3153	3153	36.87
3	A'	3137	3137	70.35
4	A'	3094	3094	39.40
5	A'	3066	3066	13.25
6	A'	2976	2976	155.13
7	A'	1548	1548	3.29
8	A'	1524	1524	5.19
9	A'	1516	1516	16.78
10	A'	1451	1451	3.65
11	A'	1414	1414	2.40
12	A'	1347	1347	4.74
13	A'	1248	1248	1.61
14	A'	1182	1182	16.64
15	A'	1083	1083	7.45
16	A'	921	921	8.82
17	A'	838	838	3.74
18	A'	794	794	72.55
19	A'	434	434	0.40
20	A'	257	257	0.92
21	A'	192	192	0.98
22	A'	113	113	1.23
23	A"	3153	3153	11.41
24	A"	3136	3136	12.65
25	A"	3092	3092	0.72
26	A"	3066	3066	28.22
27	A"	2973	2973	9.54
28	A"	1540	1540	12.40
29	A"	1532	1532	4.77
30	A"	1518	1518	10.83
31	A"	1504	1504	17.44
32	A"	1429	1429	18.47
33	A"	1373	1373	18.75
34	A"	1304	1304	5.93
35	A"	1193	1193	51.98
36	A"	1126	1126	7.10
37	A"	1083	1083	3.82
38	A"	959	959	0.07
39	A"	813	813	0.38
40	A"	434	434	0.60
41	A"	259	259	0.77
42	A"	117	117	1.18

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.284	0.000
C2	0.017	0.520	1.214
C3	0.017	0.520	-1.214
C4	0.017	-0.372	2.446
C5	0.017	-0.372	-2.446
H6	-0.807	-0.879	0.000
H7	-0.834	1.221	1.255
H8	0.924	1.134	1.205
H9	-0.834	1.221	-1.255
H10	0.924	1.134	-1.205
H11	0.060	0.218	3.363
H12	-0.889	-0.983	2.486
H13	0.875	-1.046	2.420
H14	0.060	0.218	-3.363
H15	-0.889	-0.983	-2.486
H16	0.875	-1.046	-2.420

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4564	1.4564	2.4477	2.4477	1.0172	2.1362	2.0696	2.1362	2.0696	3.4007	2.7371	2.6784	3.4007	2.7371	2.6784
C2	1.4564		2.4289	1.5209	3.7677	2.0280	1.1037	1.0948	2.7041	2.6554	2.1702	2.1674	2.1544	4.5877	4.0958	4.0494
C3	1.4564	2.4289		3.7677	1.5209	2.0280	2.7041	2.6554	1.1037	1.0948	4.5877	4.0958	4.0494	2.1702	2.1674	2.1544
C4	2.4477	1.5209	3.7677		4.8922	2.6307	2.1641	2.1520	4.1180	4.0521	1.0916	1.0938	1.0909	5.8393	5.0520	4.9870
C5	2.4477	3.7677	1.5209	4.8922		2.6307	4.1180	4.0521	2.1641	2.1520	5.8393	5.0520	4.9870	1.0916	1.0938	1.0909
H6	1.0172	2.0280	2.0280	2.6307	2.6307		2.4464	2.9157	2.4464	2.9157	3.6425	2.4897	2.9523	3.6425	2.4897	2.9523
H7	2.1362	1.1037	2.7041	2.1641	4.1180	2.4464		1.7609	2.5091	3.0243	2.5003	2.5250	3.0690	4.8092	4.3419	4.6436
H8	2.0696	1.0948	2.6554	2.1520	4.0521	2.9157	1.7609		3.0243	2.4096	2.4986	3.0675	2.4961	4.7382	4.6251	4.2301
H9	2.1362	2.7041	1.1037	4.1180	2.1641	2.4464	2.5091	3.0243		1.7609	4.8092	4.3419	4.6436	2.5003	2.5250	3.0690
H10	2.0696	2.6554	1.0948	4.0521	2.1520	2.9157	3.0243	2.4096	1.7609		4.7382	4.6251	4.2301	2.4986	3.0675	2.4961
H11	3.4007	2.1702	4.5877	1.0916	5.8393	3.6425	2.5003	2.4986	4.8092	4.7382		1.7643	1.7751	6.7263	6.0464	5.9757
H12	2.7371	2.1674	4.0958	1.0938	5.0520	2.4897	2.5250	3.0675	4.3419	4.6251	1.7643		1.7670	6.0464	4.9724	5.2144
H13	2.6784	2.1544	4.0494	1.0909	4.9870	2.9523	3.0690	2.4961	4.6436	4.2301	1.7751	1.7670		5.9757	5.2144	4.8403
H14	3.4007	4.5877	2.1702	5.8393	1.0916	3.6425	4.8092	4.7382	2.5003	2.4986	6.7263	6.0464	5.9757		1.7643	1.7751
H15	2.7371	4.0958	2.1674	5.0520	1.0938	2.4897	4.3419	4.6251	2.5250	3.0675	6.0464	4.9724	5.2144	1.7643		1.7670
H16	2.6784	4.0494	2.1544	4.9870	1.0909	2.9523	4.6436	4.2301	3.0690	2.4961	5.9757	5.2144	4.8403	1.7751	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.575	N1	C2	H7	112.384
N1	C2	H8	107.589	N1	C3	C5	110.575
N1	C3	H9	112.384	N1	C3	H10	107.589
C2	N1	C3	112.994	C2	N1	H6	108.846
C2	C4	H11	111.284	C2	C4	H12	110.922
C2	C4	H13	110.056	C3	N1	H6	108.846
C3	C5	H14	111.284	C3	C5	H15	110.922
C3	C5	H16	110.056	C4	C2	H7	110.069
C4	C2	H8	109.642	C5	C3	H8	150.860
C5	C3	H10	109.642	H7	C2	H8	106.443
H9	C3	H10	106.443	H11	C4	H12	107.672
H11	C4	H13	108.849	H12	C4	H13	107.953
H14	C5	H15	107.672	H14	C5	H16	108.849
H15	C5	H16	107.953

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

using model chemistry: M06-2X/6-311G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-0.526
2	C	-0.315
3	C	-0.315
4	C	-0.675
5	C	-0.675
6	H	0.303
7	H	0.197
8	H	0.228
9	H	0.197
10	H	0.228
11	H	0.225
12	H	0.217
13	H	0.235
14	H	0.225
15	H	0.217
16	H	0.235

	x	y	z	Total
	-0.861	0.480	0.000	0.986
CHELPG
AIM
ESP

	x	y	z
x	7.115	0.048	0.000
y	0.048	7.593	0.000
z	0.000	0.000	9.572

<r²>	186.495
(<r²>)^1/2	13.656

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

using model chemistry: M06-2X/6-311G*

States and conformations

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