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	hartrees
Energy at 0K	-213.674387
Energy at 298.15K	-213.687113
HF Energy	-213.674387
Nuclear repulsion energy	188.692233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3516	3329	0.75
2	A'	3176	3007	34.14
3	A'	3157	2990	58.14
4	A'	3098	2934	54.79
5	A'	3083	2920	9.60
6	A'	2988	2830	150.70
7	A'	1559	1476	0.54
8	A'	1532	1451	2.75
9	A'	1525	1445	12.46
10	A'	1460	1383	3.32
11	A'	1418	1343	0.34
12	A'	1342	1271	4.86
13	A'	1253	1186	1.46
14	A'	1188	1125	17.16
15	A'	1090	1032	6.44
16	A'	924	875	9.98
17	A'	836	792	4.51
18	A'	799	757	74.30
19	A'	434	411	0.38
20	A'	257	244	1.17
21	A'	192	182	0.99
22	A'	114	108	1.08
23	A"	3176	3007	10.85
24	A"	3157	2989	12.37
25	A"	3096	2932	1.48
26	A"	3083	2919	22.88
27	A"	2985	2827	10.19
28	A"	1548	1466	7.34
29	A"	1536	1455	5.35
30	A"	1527	1446	7.86
31	A"	1505	1425	30.31
32	A"	1440	1364	12.53
33	A"	1374	1302	27.66
34	A"	1302	1233	4.50
35	A"	1203	1139	45.09
36	A"	1129	1069	7.02
37	A"	1085	1027	5.25
38	A"	964	913	0.10
39	A"	813	770	0.46
40	A"	433	410	0.51
41	A"	258	244	0.70
42	A"	120	114	1.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.284	0.000
C2	0.017	0.519	1.214
C3	0.017	0.519	-1.214
C4	0.017	-0.372	2.447
C5	0.017	-0.372	-2.447
H6	-0.810	-0.880	0.000
H7	-0.833	1.225	1.256
H8	0.927	1.132	1.203
H9	-0.833	1.225	-1.256
H10	0.927	1.132	-1.203
H11	0.052	0.223	3.363
H12	-0.889	-0.988	2.483
H13	0.881	-1.042	2.426
H14	0.052	0.223	-3.363
H15	-0.889	-0.988	-2.483
H16	0.881	-1.042	-2.426

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4555	1.4555	2.4486	2.4486	1.0199	2.1401	2.0689	2.1401	2.0689	3.4016	2.7348	2.6845	3.4016	2.7348	2.6845
C2	1.4555		2.4271	1.5219	3.7675	2.0290	1.1062	1.0971	2.7059	2.6535	2.1704	2.1685	2.1573	4.5866	4.0932	4.0536
C3	1.4555	2.4271		3.7675	1.5219	2.0290	2.7059	2.6535	1.1062	1.0971	4.5866	4.0932	4.0536	2.1704	2.1685	2.1573
C4	2.4486	1.5219	3.7675		4.8940	2.6326	2.1662	2.1541	4.1218	4.0510	1.0935	1.0958	1.0929	5.8409	5.0499	4.9942
C5	2.4486	3.7675	1.5219	4.8940		2.6326	4.1218	4.0510	2.1662	2.1541	5.8409	5.0499	4.9942	1.0935	1.0958	1.0929
H6	1.0199	2.0290	2.0290	2.6326	2.6326		2.4520	2.9181	2.4520	2.9181	3.6434	2.4862	2.9617	3.6434	2.4862	2.9617
H7	2.1401	1.1062	2.7059	2.1662	4.1218	2.4520		1.7637	2.5126	3.0255	2.4955	2.5305	3.0735	4.8093	4.3450	4.6518
H8	2.0689	1.0971	2.6535	2.1541	4.0510	2.9181	1.7637		3.0255	2.4050	2.5022	3.0709	2.4955	4.7370	4.6230	4.2306
H9	2.1401	2.7059	1.1062	4.1218	2.1662	2.4520	2.5126	3.0255		1.7637	4.8093	4.3450	4.6518	2.4955	2.5305	3.0735
H10	2.0689	2.6535	1.0971	4.0510	2.1541	2.9181	3.0255	2.4050	1.7637		4.7370	4.6230	4.2306	2.5022	3.0709	2.4955
H11	3.4016	2.1704	4.5866	1.0935	5.8409	3.6434	2.4955	2.5022	4.8093	4.7370		1.7685	1.7792	6.7267	6.0439	5.9839
H12	2.7348	2.1685	4.0932	1.0958	5.0499	2.4862	2.5305	3.0709	4.3450	4.6230	1.7685		1.7711	6.0439	4.9654	5.2184
H13	2.6845	2.1573	4.0536	1.0929	4.9942	2.9617	3.0735	2.4955	4.6518	4.2306	1.7792	1.7711		5.9839	5.2184	4.8525
H14	3.4016	4.5866	2.1704	5.8409	1.0935	3.6434	4.8093	4.7370	2.4955	2.5022	6.7267	6.0439	5.9839		1.7685	1.7792
H15	2.7348	4.0932	2.1685	5.0499	1.0958	2.4862	4.3450	4.6230	2.5305	3.0709	6.0439	4.9654	5.2184	1.7685		1.7711
H16	2.6845	4.0536	2.1573	4.9942	1.0929	2.9617	4.6518	4.2306	3.0735	2.4955	5.9839	5.2184	4.8525	1.7792	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.630	N1	C2	H7	112.611
N1	C2	H8	107.465	N1	C3	C5	110.630
N1	C3	H9	112.611	N1	C3	H10	107.465
C2	N1	C3	112.980	C2	N1	H6	108.832
C2	C4	H11	111.109	C2	C4	H12	110.819
C2	C4	H13	110.098	C3	N1	H6	108.832
C3	C5	H14	111.109	C3	C5	H15	110.819
C3	C5	H16	110.098	C4	C2	H7	110.023
C4	C2	H8	109.604	C5	C3	H8	150.844
C5	C3	H10	109.604	H7	C2	H8	106.356
H9	C3	H10	106.356	H11	C4	H12	107.758
H11	C4	H13	108.931	H12	C4	H13	108.032
H14	C5	H15	107.758	H14	C5	H16	108.931
H15	C5	H16	108.032

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

using model chemistry: M06-2X/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	-0.585
2	C	-0.139
3	C	-0.139
4	C	-0.486
5	C	-0.486
6	H	0.302
7	H	0.125
8	H	0.155
9	H	0.125
10	H	0.155
11	H	0.160
12	H	0.151
13	H	0.175
14	H	0.160
15	H	0.151
16	H	0.175

	x	y	z	Total
	-0.837	0.407	0.000	0.931
CHELPG
AIM
ESP

	x	y	z
x	6.837	0.128	0.000
y	0.128	7.113	0.000
z	0.000	0.000	8.970

<r²>	186.231
(<r²>)^1/2	13.647

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

using model chemistry: M06-2X/6-31G*

States and conformations

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