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	hartrees
Energy at 0K	-213.673360
Energy at 298.15K	-213.685907
HF Energy	-213.673360
Nuclear repulsion energy	186.450364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3359	3333	4.94
2	A'	3051	3027	52.61
3	A'	3029	3006	71.74
4	A'	2968	2945	60.25
5	A'	2962	2939	20.10
6	A'	2831	2809	190.20
7	A'	1505	1494	0.06
8	A'	1479	1468	1.67
9	A'	1469	1458	9.31
10	A'	1397	1386	2.43
11	A'	1372	1361	0.04
12	A'	1290	1280	2.83
13	A'	1204	1195	1.46
14	A'	1130	1122	9.71
15	A'	1014	1006	3.97
16	A'	888	881	10.79
17	A'	809	803	1.46
18	A'	749	743	71.13
19	A'	412	409	0.11
20	A'	253	251	0.82
21	A'	182	180	0.89
22	A'	109	108	1.02
23	A"	3051	3027	11.27
24	A"	3029	3005	19.70
25	A"	2967	2944	29.24
26	A"	2958	2935	3.72
27	A"	2823	2801	18.77
28	A"	1493	1482	3.40
29	A"	1478	1466	2.91
30	A"	1474	1463	9.88
31	A"	1443	1432	17.15
32	A"	1385	1374	6.08
33	A"	1323	1313	46.25
34	A"	1253	1244	4.46
35	A"	1107	1099	38.38
36	A"	1082	1073	29.22
37	A"	1035	1027	0.24
38	A"	912	905	0.83
39	A"	795	789	0.40
40	A"	415	412	0.38
41	A"	255	253	0.70
42	A"	120	119	1.11

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	-0.286	0.000
C2	0.018	0.522	1.234
C3	0.018	0.522	-1.234
C4	0.018	-0.376	2.482
C5	0.018	-0.376	-2.482
H6	-0.824	-0.877	0.000
H7	-0.836	1.239	1.287
H8	0.934	1.141	1.224
H9	-0.836	1.239	-1.287
H10	0.934	1.141	-1.224
H11	0.063	0.229	3.401
H12	-0.900	-0.988	2.533
H13	0.880	-1.060	2.467
H14	0.063	0.229	-3.401
H15	-0.900	-0.988	-2.533
H16	0.880	-1.060	-2.467

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4749	1.4749	2.4836	2.4836	1.0286	2.1706	2.0910	2.1706	2.0910	3.4404	2.7836	2.7252	3.4404	2.7836	2.7252
C2	1.4749		2.4677	1.5376	3.8227	2.0466	1.1162	1.1054	2.7568	2.6949	2.1876	2.1927	2.1832	4.6446	4.1603	4.1158
C3	1.4749	2.4677		3.8227	1.5376	2.0466	2.7568	2.6949	1.1162	1.1054	4.6446	4.1603	4.1158	2.1876	2.1927	2.1832
C4	2.4836	1.5376	3.8227		4.9639	2.6683	2.1825	2.1729	4.1886	4.1076	1.1015	1.1037	1.1007	5.9144	5.1345	5.0695
C5	2.4836	3.8227	1.5376	4.9639		2.6683	4.1886	4.1076	2.1825	2.1729	5.9144	5.1345	5.0695	1.1015	1.1037	1.1007
H6	1.0286	2.0466	2.0466	2.6683	2.6683		2.4767	2.9426	2.4767	2.9426	3.6851	2.5363	3.0035	3.6851	2.5363	3.0035
H7	2.1706	1.1162	2.7568	2.1825	4.1886	2.4767		1.7740	2.5749	3.0741	2.5094	2.5518	3.1017	4.8798	4.4221	4.7247
H8	2.0910	1.1054	2.6949	2.1729	4.1076	2.9426	1.7740		3.0741	2.4479	2.5158	3.0989	2.5280	4.7938	4.6908	4.2973
H9	2.1706	2.7568	1.1162	4.1886	2.1825	2.4767	2.5749	3.0741		1.7740	4.8798	4.4221	4.7247	2.5094	2.5518	3.1017
H10	2.0910	2.6949	1.1054	4.1076	2.1729	2.9426	3.0741	2.4479	1.7740		4.7938	4.6908	4.2973	2.5158	3.0989	2.5280
H11	3.4404	2.1876	4.6446	1.1015	5.9144	3.6851	2.5094	2.5158	4.8798	4.7938		1.7783	1.7896	6.8026	6.1336	6.0631
H12	2.7836	2.1927	4.1603	1.1037	5.1345	2.5363	2.5518	3.0989	4.4221	4.6908	1.7783		1.7819	6.1336	5.0655	5.3070
H13	2.7252	2.1832	4.1158	1.1007	5.0695	3.0035	3.1017	2.5280	4.7247	4.2973	1.7896	1.7819		6.0631	5.3070	4.9332
H14	3.4404	4.6446	2.1876	5.9144	1.1015	3.6851	4.8798	4.7938	2.5094	2.5158	6.8026	6.1336	6.0631		1.7783	1.7896
H15	2.7836	4.1603	2.1927	5.1345	1.1037	2.5363	4.4221	4.6908	2.5518	3.0989	6.1336	5.0655	5.3070	1.7783		1.7819
H16	2.7252	4.1158	2.1832	5.0695	1.1007	3.0035	4.7247	4.2973	3.1017	2.5280	6.0631	5.3070	4.9332	1.7896	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.045	N1	C2	H7	113.076
N1	C2	H8	107.401	N1	C3	C5	111.045
N1	C3	H9	113.076	N1	C3	H10	107.401
C2	N1	C3	113.556	C2	N1	H6	108.350
C2	C4	H11	110.897	C2	C4	H12	111.167
C2	C4	H13	110.596	C3	N1	H6	108.350
C3	C5	H14	110.897	C3	C5	H15	111.167
C3	C5	H16	110.596	C4	C2	H7	109.634
C4	C2	H8	109.513	C5	C3	H8	150.968
C5	C3	H10	109.513	H7	C2	H8	105.981
H9	C3	H10	105.981	H11	C4	H12	107.488
H11	C4	H13	108.704	H12	C4	H13	107.867
H14	C5	H15	107.488	H14	C5	H16	108.704
H15	C5	H16	107.867

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

using model chemistry: BLYP/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	-0.453
2	C	-0.006
3	C	-0.006
4	C	-0.294
5	C	-0.294
6	H	0.210
7	H	0.055
8	H	0.086
9	H	0.055
10	H	0.086
11	H	0.088
12	H	0.086
13	H	0.106
14	H	0.088
15	H	0.086
16	H	0.106

	x	y	z	Total
	-0.755	0.328	0.000	0.823
CHELPG
AIM
ESP

	x	y	z
x	7.046	0.119	0.000
y	0.119	7.457	0.000
z	0.000	0.000	9.808

<r²>	190.988
(<r²>)^1/2	13.820

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

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

States and conformations

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