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	hartrees
Energy at 0K	-213.568664
Energy at 298.15K
HF Energy	-213.309893
Nuclear repulsion energy	188.276198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3535	3535	0.03
2	A'	3166	3166	47.99
3	A'	3145	3145	68.33
4	A'	3090	3090	51.89
5	A'	3072	3072	14.86
6	A'	2968	2968	196.68
7	A'	1552	1552	1.09
8	A'	1527	1527	3.46
9	A'	1518	1518	15.58
10	A'	1452	1452	3.30
11	A'	1418	1418	0.55
12	A'	1334	1334	4.96
13	A'	1247	1247	1.93
14	A'	1181	1181	13.36
15	A'	1073	1073	8.00
16	A'	911	911	5.61
17	A'	837	837	1.47
18	A'	774	774	85.64
19	A'	428	428	0.25
20	A'	260	260	1.49
21	A'	189	189	0.98
22	A'	112	112	1.65
23	A"	3166	3166	8.35
24	A"	3145	3145	20.08
25	A"	3088	3088	1.08
26	A"	3072	3072	37.38
27	A"	2964	2964	15.41
28	A"	1541	1541	3.23
29	A"	1528	1528	3.10
30	A"	1523	1523	11.93
31	A"	1499	1499	29.52
32	A"	1436	1436	13.09
33	A"	1375	1375	24.77
34	A"	1300	1300	3.53
35	A"	1175	1175	50.29
36	A"	1131	1131	11.10
37	A"	1080	1080	1.79
38	A"	955	955	0.42
39	A"	819	819	0.41
40	A"	433	433	0.34
41	A"	261	261	0.64
42	A"	111	111	1.23

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.279	0.000
C2	0.017	0.519	1.223
C3	0.017	0.519	-1.223
C4	0.017	-0.373	2.458
C5	0.017	-0.373	-2.458
H6	-0.790	-0.898	0.000
H7	-0.837	1.217	1.267
H8	0.922	1.134	1.212
H9	-0.837	1.217	-1.267
H10	0.922	1.134	-1.212
H11	0.044	0.228	3.369
H12	-0.884	-0.991	2.495
H13	0.883	-1.036	2.449
H14	0.044	0.228	-3.369
H15	-0.884	-0.991	-2.495
H16	0.883	-1.036	-2.449

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4602	1.4602	2.4597	2.4597	1.0170	2.1387	2.0702	2.1387	2.0702	3.4074	2.7465	2.7057	3.4074	2.7465	2.7057
C2	1.4602		2.4456	1.5232	3.7871	2.0381	1.1040	1.0944	2.7232	2.6696	2.1662	2.1702	2.1613	4.6014	4.1126	4.0805
C3	1.4602	2.4456		3.7871	1.5232	2.0381	2.7232	2.6696	1.1040	1.0944	4.6014	4.1126	4.0805	2.1662	2.1702	2.1613
C4	2.4597	1.5232	3.7871		4.9159	2.6399	2.1621	2.1541	4.1390	4.0692	1.0920	1.0936	1.0910	5.8582	5.0721	5.0268
C5	2.4597	3.7871	1.5232	4.9159		2.6399	4.1390	4.0692	2.1621	2.1541	5.8582	5.0721	5.0268	1.0920	1.0936	1.0910
H6	1.0170	2.0381	2.0381	2.6399	2.6399		2.4659	2.9205	2.4659	2.9205	3.6492	2.4985	2.9694	3.6492	2.4985	2.9694
H7	2.1387	1.1040	2.7232	2.1621	4.1390	2.4659		1.7620	2.5340	3.0411	2.4846	2.5269	3.0711	4.8217	4.3623	4.6738
H8	2.0702	1.0944	2.6696	2.1541	4.0692	2.9205	1.7620		3.0411	2.4244	2.4988	3.0697	2.4977	4.7520	4.6390	4.2561
H9	2.1387	2.7232	1.1040	4.1390	2.1621	2.4659	2.5340	3.0411		1.7620	4.8217	4.3623	4.6738	2.4846	2.5269	3.0711
H10	2.0702	2.6696	1.0944	4.0692	2.1541	2.9205	3.0411	2.4244	1.7620		4.7520	4.6390	4.2561	2.4988	3.0697	2.4977
H11	3.4074	2.1662	4.6014	1.0920	5.8582	3.6492	2.4846	2.4988	4.8217	4.7520		1.7643	1.7746	6.7386	6.0612	6.0130
H12	2.7465	2.1702	4.1126	1.0936	5.0721	2.4985	2.5269	3.0697	4.3623	4.6390	1.7643		1.7686	6.0612	4.9899	5.2507
H13	2.7057	2.1613	4.0805	1.0910	5.0268	2.9694	3.0711	2.4977	4.6738	4.2561	1.7746	1.7686		6.0130	5.2507	4.8982
H14	3.4074	4.6014	2.1662	5.8582	1.0920	3.6492	4.8217	4.7520	2.4846	2.4988	6.7386	6.0612	6.0130		1.7643	1.7746
H15	2.7465	4.1126	2.1702	5.0721	1.0936	2.4985	4.3623	4.6390	2.5269	3.0697	6.0612	4.9899	5.2507	1.7643		1.7686
H16	2.7057	4.0805	2.1613	5.0268	1.0910	2.9694	4.6738	4.2561	3.0711	2.4977	6.0130	5.2507	4.8982	1.7746	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.048	N1	C2	H7	112.285
N1	C2	H8	107.399	N1	C3	C5	111.048
N1	C3	H9	112.285	N1	C3	H10	107.399
C2	N1	C3	113.734	C2	N1	H6	109.419
C2	C4	H11	110.775	C2	C4	H12	110.998
C2	C4	H13	110.440	C3	N1	H6	109.419
C3	C5	H14	110.775	C3	C5	H15	110.998
C3	C5	H16	110.440	C4	C2	H7	109.735
C4	C2	H8	109.675	C5	C3	H8	150.976
C5	C3	H10	109.675	H7	C2	H8	106.549
H9	C3	H10	106.549	H11	C4	H12	107.652
H11	C4	H13	108.765	H12	C4	H13	108.112
H14	C5	H15	107.652	H14	C5	H16	108.765
H15	C5	H16	108.112

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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: B2PLYP=FULLultrafine/6-31+G**

States and conformations

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