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	hartrees
Energy at 0K	-213.159193
Energy at 298.15K	-213.171972
HF Energy	-212.331016
Nuclear repulsion energy	187.849646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3539	3328	0.64
2	A'	3190	3000	38.87
3	A'	3169	2980	63.04
4	A'	3107	2921	53.63
5	A'	3087	2903	14.70
6	A'	2999	2820	155.71
7	A'	1537	1446	0.70
8	A'	1506	1416	2.46
9	A'	1495	1406	11.56
10	A'	1452	1365	2.24
11	A'	1403	1319	0.25
12	A'	1338	1258	5.63
13	A'	1251	1176	1.03
14	A'	1184	1113	14.69
15	A'	1096	1031	6.17
16	A'	925	870	11.52
17	A'	838	788	12.85
18	A'	815	766	47.02
19	A'	434	408	0.29
20	A'	271	254	0.82
21	A'	187	176	0.56
22	A'	115	108	1.11
23	A"	3190	2999	11.20
24	A"	3169	2980	13.79
25	A"	3105	2919	0.38
26	A"	3087	2903	30.66
27	A"	2995	2816	7.29
28	A"	1532	1440	27.05
29	A"	1519	1428	4.93
30	A"	1503	1413	4.55
31	A"	1490	1401	6.06
32	A"	1423	1338	12.95
33	A"	1372	1290	33.42
34	A"	1295	1217	2.52
35	A"	1202	1130	34.09
36	A"	1124	1057	5.69
37	A"	1082	1018	3.08
38	A"	966	909	0.33
39	A"	813	764	0.36
40	A"	429	403	0.64
41	A"	269	253	0.71
42	A"	110	103	1.04

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	-0.292	0.000
C2	0.018	0.520	1.216
C3	0.018	0.520	-1.216
C4	0.018	-0.371	2.457
C5	0.018	-0.371	-2.457
H6	-0.834	-0.858	0.000
H7	-0.838	1.230	1.260
H8	0.934	1.137	1.206
H9	-0.838	1.230	-1.260
H10	0.934	1.137	-1.206
H11	0.070	0.232	3.378
H12	-0.903	-0.979	2.505
H13	0.878	-1.058	2.430
H14	0.070	0.232	-3.378
H15	-0.903	-0.979	-2.505
H16	0.878	-1.058	-2.430

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4616	1.4616	2.4582	2.4582	1.0224	2.1536	2.0821	2.1536	2.0821	3.4184	2.7556	2.6897	3.4184	2.7556	2.6897
C2	1.4616		2.4315	1.5278	3.7792	2.0249	1.1134	1.1048	2.7146	2.6617	2.1817	2.1806	2.1692	4.6028	4.1153	4.0650
C3	1.4616	2.4315		3.7792	1.5278	2.0249	2.7146	2.6617	1.1134	1.1048	4.6028	4.1153	4.0650	2.1817	2.1806	2.1692
C4	2.4582	1.5278	3.7792		4.9139	2.6454	2.1748	2.1633	4.1372	4.0658	1.1019	1.1040	1.1013	5.8660	5.0828	5.0098
C5	2.4582	3.7792	1.5278	4.9139		2.6454	4.1372	4.0658	2.1748	2.1633	5.8660	5.0828	5.0098	1.1019	1.1040	1.1013
H6	1.0224	2.0249	2.0249	2.6454	2.6454		2.4391	2.9254	2.4391	2.9254	3.6623	2.5086	2.9794	3.6623	2.5086	2.9794
H7	2.1536	1.1134	2.7146	2.1748	4.1372	2.4391		1.7749	2.5208	3.0381	2.5111	2.5369	3.0907	4.8306	4.3661	4.6696
H8	2.0821	1.1048	2.6617	2.1633	4.0658	2.9254	1.7749		3.0381	2.4118	2.5065	3.0885	2.5146	4.7513	4.6498	4.2481
H9	2.1536	2.7146	1.1134	4.1372	2.1748	2.4391	2.5208	3.0381		1.7749	4.8306	4.3661	4.6696	2.5111	2.5369	3.0907
H10	2.0821	2.6617	1.1048	4.0658	2.1633	2.9254	3.0381	2.4118	1.7749		4.7513	4.6498	4.2481	2.5065	3.0885	2.5146
H11	3.4184	2.1817	4.6028	1.1019	5.8660	3.6623	2.5111	2.5065	4.8306	4.7513		1.7818	1.7928	6.7554	6.0840	6.0042
H12	2.7556	2.1806	4.1153	1.1040	5.0828	2.5086	2.5369	3.0885	4.3661	4.6498	1.7818		1.7840	6.0840	5.0094	5.2471
H13	2.6897	2.1692	4.0650	1.1013	5.0098	2.9794	3.0907	2.5146	4.6696	4.2481	1.7928	1.7840		6.0042	5.2471	4.8608
H14	3.4184	4.6028	2.1817	5.8660	1.1019	3.6623	4.8306	4.7513	2.5111	2.5065	6.7554	6.0840	6.0042		1.7818	1.7928
H15	2.7556	4.1153	2.1806	5.0828	1.1040	2.5086	4.3661	4.6498	2.5369	3.0885	6.0840	5.0094	5.2471	1.7818		1.7840
H16	2.6897	4.0650	2.1692	5.0098	1.1013	2.9794	4.6696	4.2481	3.0907	2.5146	6.0042	5.2471	4.8608	1.7928	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.612	N1	C2	H7	112.815
N1	C2	H8	107.635	N1	C3	C5	110.612
N1	C3	H9	112.815	N1	C3	H10	107.635
C2	N1	C3	112.564	C2	N1	H6	107.899
C2	C4	H11	111.088	C2	C4	H12	110.872
C2	C4	H13	110.130	C3	N1	H6	107.899
C3	C5	H14	111.088	C3	C5	H15	110.872
C3	C5	H16	110.130	C4	C2	H7	109.861
C4	C2	H8	109.469	C5	C3	H8	150.978
C5	C3	H10	109.469	H7	C2	H8	106.294
H9	C3	H10	106.294	H11	C4	H12	107.750
H11	C4	H13	108.923	H12	C4	H13	107.981
H14	C5	H15	107.750	H14	C5	H16	108.923
H15	C5	H16	107.981

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

using model chemistry: MP3=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: MP3=FULL/cc-pVDZ

States and conformations

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