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	hartrees
Energy at 0K	-211.592212
Energy at 298.15K	-211.605027
HF Energy	-211.137189
Nuclear repulsion energy	186.861061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3505	3299	1.76
2	A'	3206	3018	42.24
3	A'	3181	2994	64.78
4	A'	3143	2958	31.83
5	A'	3121	2938	13.22
6	A'	3031	2853	131.48
7	A'	1646	1550	0.63
8	A'	1622	1527	3.12
9	A'	1611	1517	12.71
10	A'	1512	1423	6.08
11	A'	1492	1404	0.28
12	A'	1391	1310	1.76
13	A'	1304	1228	4.13
14	A'	1217	1146	9.88
15	A'	1051	990	0.81
16	A'	946	890	10.44
17	A'	878	826	3.02
18	A'	746	702	100.57
19	A'	430	405	0.56
20	A'	270	254	1.61
21	A'	189	178	1.40
22	A'	106	100	1.92
23	A"	3206	3017	7.35
24	A"	3180	2993	18.46
25	A"	3139	2954	1.56
26	A"	3119	2936	23.25
27	A"	3026	2849	5.41
28	A"	1636	1540	2.43
29	A"	1621	1526	1.40
30	A"	1615	1520	5.88
31	A"	1570	1478	12.63
32	A"	1510	1421	11.48
33	A"	1437	1352	30.20
34	A"	1371	1291	4.74
35	A"	1187	1118	0.00
36	A"	1169	1100	60.61
37	A"	1111	1045	0.46
38	A"	954	898	0.15
39	A"	866	815	1.05
40	A"	433	407	1.24
41	A"	266	251	0.91
42	A"	118	111	1.49

Atom	x (Å)	y (Å)	z (Å)
N1	0.016	-0.269	0.000
C2	0.016	0.541	1.242
C3	0.016	0.541	-1.242
C4	0.016	-0.392	2.469
C5	0.016	-0.392	-2.469
H6	-0.775	-0.913	0.000
H7	-0.836	1.236	1.300
H8	0.928	1.143	1.239
H9	-0.836	1.236	-1.300
H10	0.928	1.143	-1.239
H11	0.086	0.182	3.395
H12	-0.903	-0.982	2.499
H13	0.864	-1.073	2.400
H14	0.086	0.182	-3.395
H15	-0.903	-0.982	-2.499
H16	0.864	-1.073	-2.400

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4830	1.4830	2.4718	2.4718	1.0202	2.1636	2.0882	2.1636	2.0882	3.4256	2.7568	2.6696	3.4256	2.7568	2.6696
C2	1.4830		2.4846	1.5405	3.8264	2.0695	1.1012	1.0925	2.7697	2.7115	2.1833	2.1781	2.1596	4.6516	4.1429	4.0733
C3	1.4830	2.4846		3.8264	1.5405	2.0695	2.7697	2.7115	1.1012	1.0925	4.6516	4.1429	4.0733	2.1833	2.1781	2.1596
C4	2.4718	1.5405	3.8264		4.9375	2.6444	2.1776	2.1671	4.1924	4.1152	1.0918	1.0931	1.0901	5.8921	5.0868	4.9891
C5	2.4718	3.8264	1.5405	4.9375		2.6444	4.1924	4.1152	2.1776	2.1671	5.8921	5.0868	4.9891	1.0918	1.0931	1.0901
H6	1.0202	2.0695	2.0695	2.6444	2.6444		2.5125	2.9432	2.5125	2.9432	3.6698	2.5035	2.9112	3.6698	2.5035	2.9112
H7	2.1636	1.1012	2.7697	2.1776	4.1924	2.5125		1.7668	2.5994	3.0927	2.5201	2.5229	3.0714	4.8990	4.3998	4.6810
H8	2.0882	1.0925	2.7115	2.1671	4.1152	2.9432	1.7668		3.0927	2.4787	2.5053	3.0749	2.5023	4.8070	4.6739	4.2616
H9	2.1636	2.7697	1.1012	4.1924	2.1776	2.5125	2.5994	3.0927		1.7668	4.8990	4.3998	4.6810	2.5201	2.5229	3.0714
H10	2.0882	2.7115	1.0925	4.1152	2.1671	2.9432	3.0927	2.4787	1.7668		4.8070	4.6739	4.2616	2.5053	3.0749	2.5023
H11	3.4256	2.1833	4.6516	1.0918	5.8921	3.6698	2.5201	2.5053	4.8990	4.8070		1.7713	1.7805	6.7899	6.0891	5.9805
H12	2.7568	2.1781	4.1429	1.0931	5.0868	2.5035	2.5229	3.0749	4.3998	4.6739	1.7713		1.7724	6.0891	4.9986	5.2094
H13	2.6696	2.1596	4.0733	1.0901	4.9891	2.9112	3.0714	2.5023	4.6810	4.2616	1.7805	1.7724		5.9805	5.2094	4.8007
H14	3.4256	4.6516	2.1833	5.8921	1.0918	3.6698	4.8990	4.8070	2.5201	2.5053	6.7899	6.0891	5.9805		1.7713	1.7805
H15	2.7568	4.1429	2.1781	5.0868	1.0931	2.5035	4.3998	4.6739	2.5229	3.0749	6.0891	4.9986	5.2094	1.7713		1.7724
H16	2.6696	4.0733	2.1596	4.9891	1.0901	2.9112	4.6810	4.2616	3.0714	2.5023	5.9805	5.2094	4.8007	1.7805	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	109.662	N1	C2	H7	112.869
N1	C2	H8	107.381	N1	C3	C5	109.662
N1	C3	H9	112.869	N1	C3	H10	107.381
C2	N1	C3	113.799	C2	N1	H6	110.159
C2	C4	H11	110.933	C2	C4	H12	110.439
C2	C4	H13	109.167	C3	N1	H6	110.159
C3	C5	H14	110.933	C3	C5	H15	110.439
C3	C5	H16	109.167	C4	C2	H7	109.924
C4	C2	H8	109.613	C5	C3	H8	149.659
C5	C3	H10	109.613	H7	C2	H8	107.298
H9	C3	H10	107.298	H11	C4	H12	108.323
H11	C4	H13	109.381	H12	C4	H13	108.555
H14	C5	H15	108.323	H14	C5	H16	109.381
H15	C5	H16	108.555

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

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

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