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	hartrees
Energy at 0K	-213.099965
Energy at 298.15K	-213.112743
HF Energy	-212.331017
Nuclear repulsion energy	188.129375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3511	3337	0.26
2	A'	3203	3044	31.96
3	A'	3182	3024	51.88
4	A'	3112	2957	52.70
5	A'	3088	2935	12.65
6	A'	2992	2843	158.37
7	A'	1529	1453	0.90
8	A'	1502	1427	2.37
9	A'	1490	1416	13.29
10	A'	1435	1364	2.87
11	A'	1391	1322	0.37
12	A'	1329	1263	4.93
13	A'	1244	1183	1.04
14	A'	1175	1117	12.65
15	A'	1094	1040	7.17
16	A'	922	876	11.65
17	A'	833	792	5.51
18	A'	811	771	56.27
19	A'	432	410	0.25
20	A'	275	261	0.74
21	A'	186	176	0.58
22	A'	116	110	1.05
23	A"	3203	3044	8.38
24	A"	3182	3024	11.97
25	A"	3111	2956	0.35
26	A"	3087	2934	30.66
27	A"	2989	2841	9.72
28	A"	1518	1443	9.07
29	A"	1503	1429	7.32
30	A"	1498	1424	7.29
31	A"	1477	1404	15.35
32	A"	1409	1339	13.04
33	A"	1357	1290	34.20
34	A"	1288	1224	2.87
35	A"	1195	1136	37.87
36	A"	1119	1064	5.18
37	A"	1080	1026	5.20
38	A"	964	916	0.21
39	A"	812	772	0.34
40	A"	427	406	0.70
41	A"	274	261	0.78
42	A"	112	107	1.09

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	-0.292	0.000
C2	0.018	0.520	1.214
C3	0.018	0.520	-1.214
C4	0.018	-0.372	2.450
C5	0.018	-0.372	-2.450
H6	-0.839	-0.854	0.000
H7	-0.836	1.233	1.260
H8	0.935	1.135	1.202
H9	-0.836	1.233	-1.260
H10	0.935	1.135	-1.202
H11	0.075	0.227	3.373
H12	-0.904	-0.975	2.499
H13	0.875	-1.061	2.417
H14	0.075	0.227	-3.373
H15	-0.904	-0.975	-2.499
H16	0.875	-1.061	-2.417

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4604	1.4604	2.4517	2.4517	1.0247	2.1545	2.0789	2.1545	2.0789	3.4131	2.7498	2.6776	3.4131	2.7498	2.6776
C2	1.4604		2.4285	1.5240	3.7715	2.0239	1.1138	1.1045	2.7130	2.6566	2.1793	2.1760	2.1636	4.5970	4.1074	4.0524
C3	1.4604	2.4285		3.7715	1.5240	2.0239	2.7130	2.6566	1.1138	1.1045	4.5970	4.1074	4.0524	2.1793	2.1760	2.1636
C4	2.4517	1.5240	3.7715		4.9008	2.6402	2.1729	2.1611	4.1318	4.0560	1.1013	1.1031	1.1004	5.8544	5.0703	4.9904
C5	2.4517	3.7715	1.5240	4.9008		2.6402	4.1318	4.0560	2.1729	2.1611	5.8544	5.0703	4.9904	1.1013	1.1031	1.1004
H6	1.0247	2.0239	2.0239	2.6402	2.6402		2.4383	2.9238	2.4383	2.9238	3.6581	2.5025	2.9699	3.6581	2.5025	2.9699
H7	2.1545	1.1138	2.7130	2.1729	4.1318	2.4383		1.7747	2.5201	3.0344	2.5117	2.5327	3.0872	4.8280	4.3599	4.6599
H8	2.0789	1.1045	2.6566	2.1611	4.0560	2.9238	1.7747		3.0344	2.4038	2.5055	3.0851	2.5113	4.7428	4.6401	4.2341
H9	2.1545	2.7130	1.1138	4.1318	2.1729	2.4383	2.5201	3.0344		1.7747	4.8280	4.3599	4.6599	2.5117	2.5327	3.0872
H10	2.0789	2.6566	1.1045	4.0560	2.1611	2.9238	3.0344	2.4038	1.7747		4.7428	4.6401	4.2341	2.5055	3.0851	2.5113
H11	3.4131	2.1793	4.5970	1.1013	5.8544	3.6581	2.5117	2.5055	4.8280	4.7428		1.7802	1.7922	6.7461	6.0731	5.9855
H12	2.7498	2.1760	4.1074	1.1031	5.0703	2.5025	2.5327	3.0851	4.3599	4.6401	1.7802		1.7828	6.0731	4.9975	5.2286
H13	2.6776	2.1636	4.0524	1.1004	4.9904	2.9699	3.0872	2.5113	4.6599	4.2341	1.7922	1.7828		5.9855	5.2286	4.8345
H14	3.4131	4.5970	2.1793	5.8544	1.1013	3.6581	4.8280	4.7428	2.5117	2.5055	6.7461	6.0731	5.9855		1.7802	1.7922
H15	2.7498	4.1074	2.1760	5.0703	1.1031	2.5025	4.3599	4.6401	2.5327	3.0851	6.0731	4.9975	5.2286	1.7802		1.7828
H16	2.6776	4.0524	2.1636	4.9904	1.1004	2.9699	4.6599	4.2341	3.0872	2.5113	5.9855	5.2286	4.8345	1.7922	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.454	N1	C2	H7	112.956
N1	C2	H8	107.481	N1	C3	C5	110.454
N1	C3	H9	112.956	N1	C3	H10	107.481
C2	N1	C3	112.498	C2	N1	H6	107.768
C2	C4	H11	111.205	C2	C4	H12	110.825
C2	C4	H13	110.012	C3	N1	H6	107.768
C3	C5	H14	111.205	C3	C5	H15	110.825
C3	C5	H16	110.012	C4	C2	H7	109.950
C4	C2	H8	109.576	C5	C3	H8	150.837
C5	C3	H10	109.576	H7	C2	H8	106.270
H9	C3	H10	106.270	H11	C4	H12	107.719
H11	C4	H13	108.975	H12	C4	H13	108.011
H14	C5	H15	107.719	H14	C5	H16	108.975
H15	C5	H16	108.011

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

using model chemistry: MP2=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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