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	hartrees
Energy at 0K	-213.339468
Energy at 298.15K	-213.331560
HF Energy	-212.312669
Nuclear repulsion energy	188.956375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3742	3742	0.49
2	A'	3272	3272	78.84
3	A'	3249	3249	119.57
4	A'	3215	3215	41.60
5	A'	3184	3184	23.51
6	A'	3110	3110	182.14
7	A'	1668	1668	0.17
8	A'	1635	1635	2.32
9	A'	1627	1627	8.58
10	A'	1575	1575	2.27
11	A'	1528	1528	0.20
12	A'	1441	1441	6.01
13	A'	1338	1338	2.35
14	A'	1274	1274	21.01
15	A'	1129	1129	6.16
16	A'	968	968	5.71
17	A'	891	891	7.64
18	A'	838	838	80.60
19	A'	452	452	0.52
20	A'	277	277	1.54
21	A'	201	201	0.92
22	A'	123	123	1.68
23	A"	3271	3271	12.17
24	A"	3248	3248	31.03
25	A"	3208	3208	1.30
26	A"	3183	3183	40.80
27	A"	3100	3100	5.46
28	A"	1666	1666	42.15
29	A"	1654	1654	0.15
30	A"	1632	1632	3.29
31	A"	1622	1622	7.18
32	A"	1549	1549	10.43
33	A"	1488	1488	30.78
34	A"	1399	1399	2.77
35	A"	1256	1256	51.58
36	A"	1212	1212	8.44
37	A"	1150	1150	0.58
38	A"	1005	1005	0.48
39	A"	864	864	0.44
40	A"	456	456	0.34
41	A"	278	278	0.62
42	A"	118	118	1.16

Atom	x (Å)	y (Å)	z (Å)
N1	0.029	-0.273	0.000
C2	0.015	0.519	1.213
C3	0.015	0.519	-1.213
C4	0.015	-0.375	2.446
C5	0.015	-0.375	-2.446
H6	-0.760	-0.888	0.000
H7	-0.840	1.204	1.253
H8	0.908	1.140	1.214
H9	-0.840	1.204	-1.253
H10	0.908	1.140	-1.214
H11	0.033	0.221	3.355
H12	-0.878	-0.999	2.479
H13	0.881	-1.030	2.442
H14	0.033	0.221	-3.355
H15	-0.878	-0.999	-2.479
H16	0.881	-1.030	-2.442

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4489	1.4489	2.4478	2.4478	1.0001	2.1228	2.0600	2.1228	2.0600	3.3910	2.7374	2.6951	3.3910	2.7374	2.6951
C2	1.4489		2.4266	1.5228	3.7667	2.0128	1.0963	1.0879	2.6988	2.6602	2.1624	2.1686	2.1590	4.5780	4.0906	4.0635
C3	1.4489	2.4266		3.7667	1.5228	2.0128	2.6988	2.6602	1.0963	1.0879	4.5780	4.0906	4.0635	2.1624	2.1686	2.1590
C4	2.4478	1.5228	3.7667		4.8912	2.6159	2.1559	2.1475	4.1118	4.0607	1.0875	1.0892	1.0862	5.8311	5.0432	5.0067
C5	2.4478	3.7667	1.5228	4.8912		2.6159	4.1118	4.0607	2.1559	2.1475	5.8311	5.0432	5.0067	1.0875	1.0892	1.0862
H6	1.0001	2.0128	2.0128	2.6159	2.6159		2.4399	2.8929	2.4399	2.8929	3.6212	2.4840	2.9454	3.6212	2.4840	2.9454
H7	2.1228	1.0963	2.6988	2.1559	4.1118	2.4399		1.7498	2.5063	3.0246	2.4795	2.5215	3.0610	4.7921	4.3339	4.6486
H8	2.0600	1.0879	2.6602	2.1475	4.0607	2.8929	1.7498		3.0246	2.4284	2.4886	3.0601	2.4940	4.7421	4.6264	4.2520
H9	2.1228	2.6988	1.0963	4.1118	2.1559	2.4399	2.5063	3.0246		1.7498	4.7921	4.3339	4.6486	2.4795	2.5215	3.0610
H10	2.0600	2.6602	1.0879	4.0607	2.1475	2.8929	3.0246	2.4284	1.7498		4.7421	4.6264	4.2520	2.4886	3.0601	2.4940
H11	3.3910	2.1624	4.5780	1.0875	5.8311	3.6212	2.4795	2.4886	4.7921	4.7421		1.7566	1.7657	6.7098	6.0291	5.9906
H12	2.7374	2.1686	4.0906	1.0892	5.0432	2.4840	2.5215	3.0601	4.3339	4.6264	1.7566		1.7594	6.0291	4.9575	5.2256
H13	2.6951	2.1590	4.0635	1.0862	5.0067	2.9454	3.0610	2.4940	4.6486	4.2520	1.7657	1.7594		5.9906	5.2256	4.8837
H14	3.3910	4.5780	2.1624	5.8311	1.0875	3.6212	4.7921	4.7421	2.4795	2.4886	6.7098	6.0291	5.9906		1.7566	1.7657
H15	2.7374	4.0906	2.1686	5.0432	1.0892	2.4840	4.3339	4.6264	2.5215	3.0601	6.0291	4.9575	5.2256	1.7566		1.7594
H16	2.6951	4.0635	2.1590	5.0067	1.0862	2.9454	4.6486	4.2520	3.0610	2.4940	5.9906	5.2256	4.8837	1.7657	1.7594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.892	N1	C2	H7	112.298
N1	C2	H8	107.743	N1	C3	C5	110.892
N1	C3	H9	112.298	N1	C3	H10	107.743
C2	N1	C3	113.736	C2	N1	H6	109.180
C2	C4	H11	110.766	C2	C4	H12	111.163
C2	C4	H13	110.578	C3	N1	H6	109.180
C3	C5	H14	110.766	C3	C5	H15	111.163
C3	C5	H16	110.578	C4	C2	H7	109.735
C4	C2	H8	109.557	C5	C3	H8	151.121
C5	C3	H10	109.557	H7	C2	H8	106.473
H9	C3	H10	106.473	H11	C4	H12	107.609
H11	C4	H13	108.649	H12	C4	H13	107.962
H14	C5	H15	107.609	H14	C5	H16	108.649
H15	C5	H16	107.962

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

using model chemistry: CBS-Q

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

using model chemistry: CBS-Q

States and conformations

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