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	hartrees
Energy at 0K	-213.168685
Energy at 298.15K	-213.181453
HF Energy	-212.330663
Nuclear repulsion energy	187.698699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3503	3503	1.02
2	A'	3163	3163	42.81
3	A'	3142	3142	66.86
4	A'	3082	3082	52.70
5	A'	3063	3063	16.06
6	A'	2973	2973	160.74
7	A'	1533	1533	0.46
8	A'	1502	1502	2.32
9	A'	1491	1491	10.86
10	A'	1448	1448	2.16
11	A'	1401	1401	0.17
12	A'	1333	1333	5.49
13	A'	1248	1248	1.00
14	A'	1180	1180	13.61
15	A'	1091	1091	6.36
16	A'	923	923	11.28
17	A'	836	836	12.14
18	A'	812	812	47.81
19	A'	432	432	0.27
20	A'	270	270	0.79
21	A'	187	187	0.55
22	A'	115	115	1.10
23	A"	3163	3163	11.29
24	A"	3142	3142	15.69
25	A"	3079	3079	0.28
26	A"	3062	3062	33.44
27	A"	2968	2968	7.90
28	A"	1526	1526	23.90
29	A"	1514	1514	6.12
30	A"	1499	1499	4.62
31	A"	1486	1486	6.65
32	A"	1421	1421	11.50
33	A"	1368	1368	35.84
34	A"	1290	1290	2.72
35	A"	1195	1195	34.09
36	A"	1121	1121	5.98
37	A"	1080	1080	3.12
38	A"	963	963	0.47
39	A"	811	811	0.35
40	A"	428	428	0.63
41	A"	269	269	0.71
42	A"	110	110	1.04

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	-0.291	0.000
C2	0.018	0.520	1.217
C3	0.018	0.520	-1.217
C4	0.018	-0.372	2.458
C5	0.018	-0.372	-2.458
H6	-0.836	-0.857	0.000
H7	-0.839	1.232	1.263
H8	0.935	1.139	1.207
H9	-0.839	1.232	-1.263
H10	0.935	1.139	-1.207
H11	0.071	0.230	3.381
H12	-0.904	-0.981	2.505
H13	0.879	-1.061	2.430
H14	0.071	0.230	-3.381
H15	-0.904	-0.981	-2.505
H16	0.879	-1.061	-2.430

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4629	1.4629	2.4588	2.4588	1.0246	2.1564	2.0841	2.1564	2.0841	3.4209	2.7573	2.6904	3.4209	2.7573	2.6904
C2	1.4629		2.4345	1.5280	3.7816	2.0268	1.1152	1.1064	2.7189	2.6650	2.1832	2.1821	2.1706	4.6072	4.1183	4.0673
C3	1.4629	2.4345		3.7816	1.5280	2.0268	2.7189	2.6650	1.1152	1.1064	4.6072	4.1183	4.0673	2.1832	2.1821	2.1706
C4	2.4588	1.5280	3.7816		4.9150	2.6465	2.1763	2.1651	4.1412	4.0687	1.1036	1.1057	1.1029	5.8693	5.0843	5.0102
C5	2.4588	3.7816	1.5280	4.9150		2.6465	4.1412	4.0687	2.1763	2.1651	5.8693	5.0843	5.0102	1.1036	1.1057	1.1029
H6	1.0246	2.0268	2.0268	2.6465	2.6465		2.4413	2.9289	2.4413	2.9289	3.6652	2.5093	2.9813	3.6652	2.5093	2.9813
H7	2.1564	1.1152	2.7189	2.1763	4.1412	2.4413		1.7777	2.5256	3.0427	2.5134	2.5387	3.0940	4.8366	4.3703	4.6740
H8	2.0841	1.1064	2.6650	2.1651	4.0687	2.9289	1.7777		3.0427	2.4144	2.5089	3.0919	2.5170	4.7559	4.6538	4.2508
H9	2.1564	2.7189	1.1152	4.1412	2.1763	2.4413	2.5256	3.0427		1.7777	4.8366	4.3703	4.6740	2.5134	2.5387	3.0940
H10	2.0841	2.6650	1.1064	4.0687	2.1651	2.9289	3.0427	2.4144	1.7777		4.7559	4.6538	4.2508	2.5089	3.0919	2.5170
H11	3.4209	2.1832	4.6072	1.1036	5.8693	3.6652	2.5134	2.5089	4.8366	4.7559		1.7843	1.7954	6.7610	6.0878	6.0067
H12	2.7573	2.1821	4.1183	1.1057	5.0843	2.5093	2.5387	3.0919	4.3703	4.6538	1.7843		1.7868	6.0878	5.0108	5.2482
H13	2.6904	2.1706	4.0673	1.1029	5.0102	2.9813	3.0940	2.5170	4.6740	4.2508	1.7954	1.7868		6.0067	5.2482	4.8598
H14	3.4209	4.6072	2.1832	5.8693	1.1036	3.6652	4.8366	4.7559	2.5134	2.5089	6.7610	6.0878	6.0067		1.7843	1.7954
H15	2.7573	4.1183	2.1821	5.0843	1.1057	2.5093	4.3703	4.6538	2.5387	3.0919	6.0878	5.0108	5.2482	1.7843		1.7868
H16	2.6904	4.0673	2.1706	5.0102	1.1029	2.9813	4.6740	4.2508	3.0940	2.5170	6.0067	5.2482	4.8598	1.7954	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.580	N1	C2	H7	112.838
N1	C2	H8	107.608	N1	C3	C5	110.580
N1	C3	H9	112.838	N1	C3	H10	107.608
C2	N1	C3	112.632	C2	N1	H6	107.837
C2	C4	H11	111.093	C2	C4	H12	110.881
C2	C4	H13	110.136	C3	N1	H6	107.837
C3	C5	H14	111.093	C3	C5	H15	110.881
C3	C5	H16	110.136	C4	C2	H7	109.866
C4	C2	H8	109.503	C5	C3	H8	150.928
C5	C3	H10	109.503	H7	C2	H8	106.293
H9	C3	H10	106.293	H11	C4	H12	107.730
H11	C4	H13	108.912	H12	C4	H13	107.992
H14	C5	H15	107.730	H14	C5	H16	108.912
H15	C5	H16	107.992

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

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

States and conformations

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