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	hartrees
Energy at 0K	-213.844573
Energy at 298.15K	-213.857281
HF Energy	-213.844573
Nuclear repulsion energy	188.067447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3476	3359	3.24
2	A'	3107	3002	62.51
3	A'	3086	2982	93.87
4	A'	3038	2935	65.89
5	A'	3027	2925	11.76
6	A'	2912	2813	209.47
7	A'	1545	1493	2.34
8	A'	1519	1468	2.83
9	A'	1509	1458	16.90
10	A'	1439	1391	3.77
11	A'	1412	1364	1.31
12	A'	1335	1290	4.06
13	A'	1241	1199	1.35
14	A'	1169	1130	12.97
15	A'	1054	1018	6.81
16	A'	910	880	7.70
17	A'	833	805	0.84
18	A'	776	750	78.51
19	A'	426	411	0.20
20	A'	261	253	0.86
21	A'	188	181	0.77
22	A'	112	108	1.32
23	A"	3107	3002	14.14
24	A"	3086	2982	23.36
25	A"	3034	2931	7.81
26	A"	3026	2924	29.75
27	A"	2905	2807	14.66
28	A"	1535	1483	7.14
29	A"	1528	1477	9.28
30	A"	1514	1463	10.75
31	A"	1498	1448	10.04
32	A"	1423	1375	15.07
33	A"	1369	1323	27.96
34	A"	1297	1253	5.55
35	A"	1156	1117	54.47
36	A"	1122	1084	14.14
37	A"	1071	1035	0.76
38	A"	944	912	0.59
39	A"	815	788	0.30
40	A"	429	415	0.50
41	A"	263	254	0.79
42	A"	119	115	1.27

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.279	0.000
C2	0.017	0.519	1.223
C3	0.017	0.519	-1.223
C4	0.017	-0.373	2.460
C5	0.017	-0.373	-2.460
H6	-0.801	-0.883	0.000
H7	-0.834	1.223	1.271
H8	0.923	1.136	1.217
H9	-0.834	1.223	-1.271
H10	0.923	1.136	-1.217
H11	0.075	0.222	3.376
H12	-0.897	-0.975	2.517
H13	0.867	-1.059	2.436
H14	0.075	0.222	-3.376
H15	-0.897	-0.975	-2.517
H16	0.867	-1.059	-2.436

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4605	1.4605	2.4621	2.4621	1.0174	2.1443	2.0748	2.1443	2.0748	3.4130	2.7668	2.6957	3.4130	2.7668	2.6957
C2	1.4605		2.4468	1.5250	3.7902	2.0328	1.1063	1.0960	2.7283	2.6757	2.1732	2.1770	2.1641	4.6089	4.1301	4.0750
C3	1.4605	2.4468		3.7902	1.5250	2.0328	2.7283	2.6757	1.1063	1.0960	4.6089	4.1301	4.0750	2.1732	2.1770	2.1641
C4	2.4621	1.5250	3.7902		4.9205	2.6425	2.1655	2.1548	4.1469	4.0773	1.0933	1.0953	1.0924	5.8664	5.0963	5.0169
C5	2.4621	3.7902	1.5250	4.9205		2.6425	4.1469	4.0773	2.1655	2.1548	5.8664	5.0963	5.0169	1.0933	1.0953	1.0924
H6	1.0174	2.0328	2.0328	2.6425	2.6425		2.4606	2.9210	2.4606	2.9210	3.6583	2.5207	2.9583	3.6583	2.5207	2.9583
H7	2.1443	1.1063	2.7283	2.1655	4.1469	2.4606		1.7600	2.5419	3.0475	2.5018	2.5277	3.0763	4.8394	4.3802	4.6743
H8	2.0748	1.0960	2.6757	2.1548	4.0773	2.9210	1.7600		3.0475	2.4350	2.4923	3.0748	2.5114	4.7592	4.6598	4.2629
H9	2.1443	2.7283	1.1063	4.1469	2.1655	2.4606	2.5419	3.0475		1.7600	4.8394	4.3802	4.6743	2.5018	2.5277	3.0763
H10	2.0748	2.6757	1.0960	4.0773	2.1548	2.9210	3.0475	2.4350	1.7600		4.7592	4.6598	4.2629	2.4923	3.0748	2.5114
H11	3.4130	2.1732	4.6089	1.0933	5.8664	3.6583	2.5018	2.4923	4.8394	4.7592		1.7642	1.7750	6.7511	6.0910	6.0039
H12	2.7668	2.1770	4.1301	1.0953	5.0963	2.5207	2.5277	3.0748	4.3802	4.6598	1.7642		1.7678	6.0910	5.0344	5.2589
H13	2.6957	2.1641	4.0750	1.0924	5.0169	2.9583	3.0763	2.5114	4.6743	4.2629	1.7750	1.7678		6.0039	5.2589	4.8727
H14	3.4130	4.6089	2.1732	5.8664	1.0933	3.6583	4.8394	4.7592	2.5018	2.4923	6.7511	6.0910	6.0039		1.7642	1.7750
H15	2.7668	4.1301	2.1770	5.0963	1.0953	2.5207	4.3802	4.6598	2.5277	3.0748	6.0910	5.0344	5.2589	1.7642		1.7678
H16	2.6957	4.0750	2.1641	5.0169	1.0924	2.9583	4.6743	4.2629	3.0763	2.5114	6.0039	5.2589	4.8727	1.7750	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.092	N1	C2	H7	112.578
N1	C2	H8	107.647	N1	C3	C5	111.092
N1	C3	H9	112.578	N1	C3	H10	107.647
C2	N1	C3	113.789	C2	N1	H6	108.926
C2	C4	H11	111.128	C2	C4	H12	111.303
C2	C4	H13	110.450	C3	N1	H6	108.926
C3	C5	H14	111.128	C3	C5	H15	111.303
C3	C5	H16	110.450	C4	C2	H7	109.745
C4	C2	H8	109.507	C5	C3	H8	151.029
C5	C3	H10	109.507	H7	C2	H8	106.096
H9	C3	H10	106.096	H11	C4	H12	107.423
H11	C4	H13	108.599	H12	C4	H13	107.806
H14	C5	H15	107.423	H14	C5	H16	108.599
H15	C5	H16	107.806

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	N	-0.495
2	C	-0.260
3	C	-0.260
4	C	-0.619
5	C	-0.619
6	H	0.286
7	H	0.169
8	H	0.202
9	H	0.169
10	H	0.202
11	H	0.204
12	H	0.196
13	H	0.213
14	H	0.204
15	H	0.196
16	H	0.213

	x	y	z
x	7.295	0.019	0.000
y	0.019	7.826	0.000
z	0.000	0.000	9.880

<r²>	188.507
(<r²>)^1/2	13.730

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

using model chemistry: B3LYP/6-311G*

States and conformations

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