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	hartrees
Energy at 0K	-38.410304
Energy at 298.15K	-38.422869
HF Energy	-37.937304
Nuclear repulsion energy	107.931301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3437	3354	4.35
2	A'	3089	3015	70.89
3	A'	3066	2992	108.48
4	A'	3021	2948	49.16
5	A'	2967	2895	19.78
6	A'	2886	2817	216.34
7	A'	1549	1511	1.01
8	A'	1526	1489	4.94
9	A'	1516	1480	12.29
10	A'	1448	1413	5.59
11	A'	1429	1394	0.18
12	A'	1297	1266	3.47
13	A'	1252	1222	3.20
14	A'	1161	1134	9.46
15	A'	1053	1027	5.96
16	A'	892	871	6.34
17	A'	820	800	0.28
18	A'	715	698	108.69
19	A'	414	404	0.35
20	A'	246	240	1.22
21	A'	177	173	1.31
22	A'	100	98	2.12
23	A"	3089	3015	12.11
24	A"	3065	2991	27.98
25	A"	3018	2946	0.90
26	A"	2966	2895	50.92
27	A"	2882	2813	11.55
28	A"	1539	1502	0.31
29	A"	1529	1492	0.92
30	A"	1518	1481	9.48
31	A"	1500	1464	20.77
32	A"	1443	1408	14.48
33	A"	1373	1340	26.91
34	A"	1279	1248	3.46
35	A"	1151	1123	49.38
36	A"	1124	1097	16.39
37	A"	1066	1040	1.22
38	A"	938	915	0.87
39	A"	811	791	0.36
40	A"	415	405	0.55
41	A"	246	240	0.69
42	A"	92	89	1.67

Atom	x (Å)	y (Å)	z (Å)
N1	0.016	-0.271	0.000
C2	0.016	0.541	1.261
C3	0.016	0.541	-1.261
C4	0.016	-0.391	2.507
C5	0.016	-0.391	-2.507
H6	-0.758	-0.949	0.000
H7	-0.851	1.241	1.309
H8	0.936	1.151	1.246
H9	-0.851	1.241	-1.309
H10	0.936	1.151	-1.246
H11	0.093	0.201	3.435
H12	-0.916	-0.983	2.555
H13	0.870	-1.084	2.449
H14	0.093	0.201	-3.435
H15	-0.916	-0.983	-2.555
H16	0.870	-1.084	-2.449

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4996	1.4996	2.5095	2.5095	1.0283	2.1796	2.1032	2.1796	2.1032	3.4678	2.8111	2.7179	3.4678	2.8111	2.7179
C2	1.4996		2.5212	1.5558	3.8807	2.0990	1.1154	1.1042	2.8004	2.7393	2.2018	2.2057	2.1865	4.7082	4.2129	4.1388
C3	1.4996	2.5212		3.8807	1.5558	2.0990	2.8004	2.7393	1.1154	1.1042	4.7082	4.2129	4.1388	2.2018	2.2057	2.1865
C4	2.5095	1.5558	3.8807		5.0132	2.6820	2.2021	2.1937	4.2390	4.1604	1.1034	1.1048	1.1014	5.9712	5.1806	5.0761
C5	2.5095	3.8807	1.5558	5.0132		2.6820	4.2390	4.1604	2.2021	2.1937	5.9712	5.1806	5.0761	1.1034	1.1048	1.1014
H6	1.0283	2.0990	2.0990	2.6820	2.6820		2.5522	2.9717	2.5522	2.9717	3.7204	2.5602	2.9439	3.7204	2.5602	2.9439
H7	2.1796	1.1154	2.8004	2.2021	4.2390	2.5522		1.7904	2.6170	3.1191	2.5480	2.5500	3.1091	4.9467	4.4583	4.7418
H8	2.1032	1.1042	2.7393	2.1937	4.1604	2.9717	1.7904		3.1191	2.4926	2.5304	3.1137	2.5387	4.8503	4.7364	4.3190
H9	2.1796	2.8004	1.1154	4.2390	2.2021	2.5522	2.6170	3.1191		1.7904	4.9467	4.4583	4.7418	2.5480	2.5500	3.1091
H10	2.1032	2.7393	1.1042	4.1604	2.1937	2.9717	3.1191	2.4926	1.7904		4.8503	4.7364	4.3190	2.5304	3.1137	2.5387
H11	3.4678	2.2018	4.7082	1.1034	5.9712	3.7204	2.5480	2.5304	4.9467	4.8503		1.7865	1.7963	6.8693	6.1883	6.0722
H12	2.8111	2.2057	4.2129	1.1048	5.1806	2.5602	2.5500	3.1137	4.4583	4.7364	1.7865		1.7918	6.1883	5.1102	5.3141
H13	2.7179	2.1865	4.1388	1.1014	5.0761	2.9439	3.1091	2.5387	4.7418	4.3190	1.7963	1.7918		6.0722	5.3141	4.8979
H14	3.4678	4.7082	2.2018	5.9712	1.1034	3.7204	4.9467	4.8503	2.5480	2.5304	6.8693	6.1883	6.0722		1.7865	1.7963
H15	2.8111	4.2129	2.2057	5.1806	1.1048	2.5602	4.4583	4.7364	2.5500	3.1137	6.1883	5.1102	5.3141	1.7865		1.7918
H16	2.7179	4.1388	2.1865	5.0761	1.1014	2.9439	4.7418	4.3190	3.1091	2.5387	6.0722	5.3141	4.8979	1.7963	1.7918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.422	N1	C2	H7	112.086
N1	C2	H8	106.768	N1	C3	C5	110.422
N1	C3	H9	112.086	N1	C3	H10	106.768
C2	N1	C3	114.416	C2	N1	H6	110.891
C2	C4	H11	110.635	C2	C4	H12	110.855
C2	C4	H13	109.557	C3	N1	H6	110.891
C3	C5	H14	110.635	C3	C5	H15	110.855
C3	C5	H16	109.557	C4	C2	H7	109.962
C4	C2	H8	109.961	C5	C3	H8	150.040
C5	C3	H10	109.961	H7	C2	H8	107.541
H9	C3	H10	107.541	H11	C4	H12	108.001
H11	C4	H13	109.123	H12	C4	H13	108.618
H14	C5	H15	108.001	H14	C5	H16	109.123
H15	C5	H16	108.618

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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