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	hartrees
Energy at 0K	-213.153929
Energy at 298.15K	-213.166739
HF Energy	-212.332492
Nuclear repulsion energy	188.611899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3575	3352	1.02
2	A'	3218	3017	47.03
3	A'	3195	2996	66.15
4	A'	3137	2941	53.82
5	A'	3116	2922	12.31
6	A'	3030	2841	143.58
7	A'	1592	1493	0.10
8	A'	1562	1465	2.10
9	A'	1554	1457	8.70
10	A'	1491	1398	2.27
11	A'	1450	1360	0.14
12	A'	1362	1277	4.66
13	A'	1281	1201	1.90
14	A'	1208	1132	13.00
15	A'	1101	1032	5.08
16	A'	935	877	9.76
17	A'	852	799	5.13
18	A'	811	760	70.08
19	A'	436	409	0.35
20	A'	269	253	1.29
21	A'	192	180	0.78
22	A'	115	107	1.43
23	A"	3217	3017	9.01
24	A"	3195	2996	17.51
25	A"	3133	2938	0.62
26	A"	3116	2921	29.80
27	A"	3025	2837	7.51
28	A"	1581	1483	4.38
29	A"	1564	1466	3.57
30	A"	1559	1461	7.51
31	A"	1532	1436	30.40
32	A"	1473	1381	8.26
33	A"	1409	1321	28.94
34	A"	1327	1245	2.63
35	A"	1205	1129	34.86
36	A"	1150	1079	8.03
37	A"	1102	1033	3.20
38	A"	976	915	0.42
39	A"	829	778	0.57
40	A"	437	410	0.54
41	A"	269	253	0.66
42	A"	110	103	1.16

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.288	0.000
C2	0.017	0.519	1.217
C3	0.017	0.519	-1.217
C4	0.017	-0.371	2.452
C5	0.017	-0.371	-2.452
H6	-0.817	-0.869	0.000
H7	-0.831	1.221	1.261
H8	0.924	1.130	1.206
H9	-0.831	1.221	-1.261
H10	0.924	1.130	-1.206
H11	0.058	0.226	3.363
H12	-0.888	-0.980	2.492
H13	0.876	-1.041	2.431
H14	0.058	0.226	-3.363
H15	-0.888	-0.980	-2.492
H16	0.876	-1.041	-2.431

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4605	1.4605	2.4534	2.4534	1.0160	2.1412	2.0707	2.1412	2.0707	3.4022	2.7404	2.6860	3.4022	2.7404	2.6860
C2	1.4605		2.4342	1.5223	3.7755	2.0254	1.1013	1.0930	2.7112	2.6586	2.1660	2.1662	2.1551	4.5895	4.1020	4.0597
C3	1.4605	2.4342		3.7755	1.5223	2.0254	2.7112	2.6586	1.1013	1.0930	4.5895	4.1020	4.0597	2.1660	2.1662	2.1551
C4	2.4534	1.5223	3.7755		4.9040	2.6373	2.1614	2.1508	4.1275	4.0568	1.0901	1.0916	1.0888	5.8456	5.0633	5.0032
C5	2.4534	3.7755	1.5223	4.9040		2.6373	4.1275	4.0568	2.1614	2.1508	5.8456	5.0633	5.0032	1.0901	1.0916	1.0888
H6	1.0160	2.0254	2.0254	2.6373	2.6373		2.4400	2.9116	2.4400	2.9116	3.6431	2.4959	2.9673	3.6431	2.4959	2.9673
H7	2.1412	1.1013	2.7112	2.1614	4.1275	2.4400		1.7575	2.5214	3.0286	2.4893	2.5224	3.0652	4.8119	4.3510	4.6536
H8	2.0707	1.0930	2.6586	2.1508	4.0568	2.9116	1.7575		3.0286	2.4128	2.4932	3.0637	2.4929	4.7374	4.6275	4.2364
H9	2.1412	2.7112	1.1013	4.1275	2.1614	2.4400	2.5214	3.0286		1.7575	4.8119	4.3510	4.6536	2.4893	2.5224	3.0652
H10	2.0707	2.6586	1.0930	4.0568	2.1508	2.9116	3.0286	2.4128	1.7575		4.7374	4.6275	4.2364	2.4932	3.0637	2.4929
H11	3.4022	2.1660	4.5895	1.0901	5.8456	3.6431	2.4893	2.4932	4.8119	4.7374		1.7628	1.7725	6.7256	6.0526	5.9872
H12	2.7404	2.1662	4.1020	1.0916	5.0633	2.4959	2.5224	3.0637	4.3510	4.6275	1.7628		1.7656	6.0526	4.9848	5.2304
H13	2.6860	2.1551	4.0597	1.0888	5.0032	2.9673	3.0652	2.4929	4.6536	4.2364	1.7725	1.7656		5.9872	5.2304	4.8628
H14	3.4022	4.5895	2.1660	5.8456	1.0901	3.6431	4.8119	4.7374	2.4893	2.4932	6.7256	6.0526	5.9872		1.7628	1.7725
H15	2.7404	4.1020	2.1662	5.0633	1.0916	2.4959	4.3510	4.6275	2.5224	3.0637	6.0526	4.9848	5.2304	1.7628		1.7656
H16	2.6860	4.0597	2.1551	5.0032	1.0888	2.9673	4.6536	4.2364	3.0652	2.4929	5.9872	5.2304	4.8628	1.7725	1.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.657	N1	C2	H7	112.648
N1	C2	H8	107.498	N1	C3	C5	110.657
N1	C3	H9	112.648	N1	C3	H10	107.498
C2	N1	C3	112.888	C2	N1	H6	108.403
C2	C4	H11	110.933	C2	C4	H12	110.864
C2	C4	H13	110.141	C3	N1	H6	108.403
C3	C5	H14	110.933	C3	C5	H15	110.864
C3	C5	H16	110.141	C4	C2	H7	109.899
C4	C2	H8	109.554	C5	C3	H8	150.904
C5	C3	H10	109.554	H7	C2	H8	106.436
H9	C3	H10	106.436	H11	C4	H12	107.796
H11	C4	H13	108.878	H12	C4	H13	108.141
H14	C5	H15	107.796	H14	C5	H16	108.878
H15	C5	H16	108.141

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

using model chemistry: CCD/6-31G**

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: CCD/6-31G**

States and conformations

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