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	hartrees
Energy at 0K	-210.036506
Energy at 298.15K	-210.048950
HF Energy	-209.771341
Nuclear repulsion energy	184.201305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3652	3246	14.25
2	A'	3565	3169	3.63
3	A'	3554	3159	5.44
4	A'	3484	3097	12.87
5	A'	3377	3002	1.28
6	A'	3352	2980	28.61
7	A'	1743	1550	0.37
8	A'	1728	1536	1.94
9	A'	1721	1530	2.53
10	A'	1622	1442	0.00
11	A'	1559	1386	1.70
12	A'	1460	1297	3.50
13	A'	1382	1229	2.86
14	A'	1270	1129	8.80
15	A'	1168	1038	0.42
16	A'	1045	929	21.06
17	A'	915	814	3.33
18	A'	877	779	20.75
19	A'	443	394	0.10
20	A'	232	206	1.74
21	A'	196	174	0.63
22	A'	113	101	1.99
23	A"	3565	3169	0.67
24	A"	3554	3159	0.99
25	A"	3485	3098	0.05
26	A"	3377	3002	3.46
27	A"	3354	2981	1.83
28	A"	1741	1548	0.60
29	A"	1728	1536	0.06
30	A"	1719	1528	1.95
31	A"	1645	1462	8.03
32	A"	1615	1436	0.04
33	A"	1508	1340	51.69
34	A"	1423	1265	1.32
35	A"	1239	1102	1.41
36	A"	1199	1066	4.67
37	A"	1173	1043	4.00
38	A"	1039	924	0.20
39	A"	879	781	0.90
40	A"	429	381	0.51
41	A"	231	206	0.44
42	A"	121	107	0.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.020	-0.360	0.000
C2	0.020	0.524	1.235
C3	0.020	0.524	-1.235
C4	0.020	-0.354	2.523
C5	0.020	-0.354	-2.523
H6	-0.937	-0.817	0.000
H7	-0.844	1.228	1.259
H8	0.943	1.138	1.205
H9	-0.844	1.228	-1.259
H10	0.943	1.138	-1.205
H11	0.062	0.283	3.422
H12	-0.895	-0.969	2.575
H13	0.893	-1.028	2.525
H14	0.062	0.283	-3.422
H15	-0.895	-0.969	-2.575
H16	0.893	-1.028	-2.525

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.5187	1.5187	2.5225	2.5225	1.0604	2.2030	2.1326	2.2030	2.1326	3.4826	2.7996	2.7535	3.4826	2.7996	2.7535
C2	1.5187		2.4692	1.5588	3.8584	2.0586	1.1145	1.1086	2.7308	2.6796	2.2014	2.2053	2.1987	4.6634	4.1928	4.1597
C3	1.5187	2.4692		3.8584	1.5588	2.0586	2.7308	2.6796	1.1145	1.1086	4.6634	4.1928	4.1597	2.2014	2.2053	2.1987
C4	2.5225	1.5588	3.8584		5.0450	2.7374	2.2016	2.1938	4.1888	4.1198	1.1034	1.1035	1.1024	5.9791	5.2153	5.1663
C5	2.5225	3.8584	1.5588	5.0450		2.7374	4.1888	4.1198	2.2016	2.1938	5.9791	5.2153	5.1663	1.1034	1.1035	1.1024
H6	1.0604	2.0586	2.0586	2.7374	2.7374		2.4029	2.9676	2.4029	2.9676	3.7309	2.5798	3.1253	3.7309	2.5798	3.1253
H7	2.2030	1.1145	2.7308	2.2016	4.1888	2.4029		1.7896	2.5170	3.0446	2.5289	2.5621	3.1157	4.8604	4.4189	4.7347
H8	2.1326	1.1086	2.6796	2.1938	4.1198	2.9676	1.7896		3.0446	2.4102	2.5344	3.1133	2.5364	4.7876	4.7016	4.3133
H9	2.2030	2.7308	1.1145	4.1888	2.2016	2.4029	2.5170	3.0446		1.7896	4.8604	4.4189	4.7347	2.5289	2.5621	3.1157
H10	2.1326	2.6796	1.1086	4.1198	2.1938	2.9676	3.0446	2.4102	1.7896		4.7876	4.7016	4.3133	2.5344	3.1133	2.5364
H11	3.4826	2.2014	4.6634	1.1034	5.9791	3.7309	2.5289	2.5344	4.8604	4.7876		1.7891	1.7929	6.8448	6.2009	6.1463
H12	2.7996	2.2053	4.1928	1.1035	5.2153	2.5798	2.5621	3.1133	4.4189	4.7016	1.7891		1.7890	6.2009	5.1499	5.4042
H13	2.7535	2.1987	4.1597	1.1024	5.1663	3.1253	3.1157	2.5364	4.7347	4.3133	1.7929	1.7890		6.1463	5.4042	5.0496
H14	3.4826	4.6634	2.2014	5.9791	1.1034	3.7309	4.8604	4.7876	2.5289	2.5344	6.8448	6.2009	6.1463		1.7891	1.7929
H15	2.7996	4.1928	2.2053	5.2153	1.1035	2.5798	4.4189	4.7016	2.5621	3.1133	6.2009	5.1499	5.4042	1.7891		1.7890
H16	2.7535	4.1597	2.1987	5.1663	1.1024	3.1253	4.7347	4.3133	3.1157	2.5364	6.1463	5.4042	5.0496	1.7929	1.7890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.094	N1	C2	H7	112.663
N1	C2	H8	107.501	N1	C3	C5	110.094
N1	C3	H9	112.663	N1	C3	H10	107.501
C2	N1	C3	108.768	C2	N1	H6	104.514
C2	C4	H11	110.394	C2	C4	H12	110.690
C2	C4	H13	110.241	C3	N1	H6	104.514
C3	C5	H14	110.394	C3	C5	H15	110.690
C3	C5	H16	110.241	C4	C2	H7	109.765
C4	C2	H8	109.499	C5	C3	H8	151.792
C5	C3	H10	109.499	H7	C2	H8	107.216
H9	C3	H10	107.216	H11	C4	H12	108.327
H11	C4	H13	108.743	H12	C4	H13	108.381
H14	C5	H15	108.327	H14	C5	H16	108.743
H15	C5	H16	108.381

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

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

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