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	hartrees
Energy at 0K	-211.673293
Energy at 298.15K	-211.685968
HF Energy	-211.134702
Nuclear repulsion energy	185.645377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3354	3224	5.44
2	A'	3112	2991	41.44
3	A'	3087	2967	61.59
4	A'	3047	2929	33.14
5	A'	3026	2909	10.80
6	A'	2934	2819	126.63
7	A'	1602	1540	0.49
8	A'	1581	1520	2.78
9	A'	1570	1509	11.51
10	A'	1468	1411	5.23
11	A'	1444	1388	0.41
12	A'	1352	1300	1.81
13	A'	1273	1223	3.68
14	A'	1176	1131	6.76
15	A'	1017	977	0.13
16	A'	929	893	16.73
17	A'	854	821	4.24
18	A'	736	707	83.31
19	A'	419	402	0.32
20	A'	262	252	1.51
21	A'	184	177	1.17
22	A'	104	100	1.73
23	A"	3112	2991	7.58
24	A"	3086	2966	17.65
25	A"	3044	2925	1.78
26	A"	3026	2908	22.60
27	A"	2930	2816	6.27
28	A"	1593	1531	2.06
29	A"	1580	1518	2.34
30	A"	1573	1512	4.64
31	A"	1523	1463	9.19
32	A"	1466	1409	9.21
33	A"	1391	1337	31.29
34	A"	1332	1280	5.48
35	A"	1149	1104	1.82
36	A"	1123	1079	51.52
37	A"	1073	1032	2.30
38	A"	922	887	0.21
39	A"	843	810	1.19
40	A"	420	403	1.41
41	A"	259	249	0.98
42	A"	118	114	1.48

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.284	0.000
C2	0.017	0.543	1.248
C3	0.017	0.543	-1.248
C4	0.017	-0.390	2.484
C5	0.017	-0.390	-2.484
H6	-0.811	-0.898	0.000
H7	-0.839	1.247	1.303
H8	0.938	1.145	1.237
H9	-0.839	1.247	-1.303
H10	0.938	1.145	-1.237
H11	0.093	0.191	3.414
H12	-0.912	-0.980	2.519
H13	0.867	-1.080	2.412
H14	0.093	0.191	-3.414
H15	-0.912	-0.980	-2.519
H16	0.867	-1.080	-2.412

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4969	1.4969	2.4865	2.4865	1.0307	2.1850	2.1028	2.1850	2.1028	3.4479	2.7734	2.6788	3.4479	2.7734	2.6788
C2	1.4969		2.4951	1.5491	3.8466	2.0781	1.1092	1.1002	2.7806	2.7176	2.1962	2.1905	2.1710	4.6755	4.1676	4.0929
C3	1.4969	2.4951		3.8466	1.5491	2.0781	2.7806	2.7176	1.1092	1.1002	4.6755	4.1676	4.0929	2.1962	2.1905	2.1710
C4	2.4865	1.5491	3.8466		4.9684	2.6674	2.1926	2.1813	4.2135	4.1297	1.0993	1.1006	1.0974	5.9274	5.1228	5.0176
C5	2.4865	3.8466	1.5491	4.9684		2.6674	4.2135	4.1297	2.1926	2.1813	5.9274	5.1228	5.0176	1.0993	1.1006	1.0974
H6	1.0307	2.0781	2.0781	2.6674	2.6674		2.5101	2.9603	2.5101	2.9603	3.6961	2.5224	2.9446	3.6961	2.5224	2.9446
H7	2.1850	1.1092	2.7806	2.1926	4.2135	2.5101		1.7803	2.6056	3.1013	2.5379	2.5389	3.0912	4.9226	4.4242	4.7040
H8	2.1028	1.1002	2.7176	2.1813	4.1297	2.9603	1.7803		3.1013	2.4748	2.5218	3.0948	2.5167	4.8227	4.6954	4.2749
H9	2.1850	2.7806	1.1092	4.2135	2.1926	2.5101	2.6056	3.1013		1.7803	4.9226	4.4242	4.7040	2.5379	2.5389	3.0912
H10	2.1028	2.7176	1.1002	4.1297	2.1813	2.9603	3.1013	2.4748	1.7803		4.8227	4.6954	4.2749	2.5218	3.0948	2.5167
H11	3.4479	2.1962	4.6755	1.0993	5.9274	3.6961	2.5379	2.5218	4.9226	4.8227		1.7842	1.7937	6.8282	6.1307	6.0135
H12	2.7734	2.1905	4.1676	1.1006	5.1228	2.5224	2.5389	3.0948	4.4242	4.6954	1.7842		1.7849	6.1307	5.0382	5.2435
H13	2.6788	2.1710	4.0929	1.0974	5.0176	2.9446	3.0912	2.5167	4.7040	4.2749	1.7937	1.7849		6.0135	5.2435	4.8249
H14	3.4479	4.6755	2.1962	5.9274	1.0993	3.6961	4.9226	4.8227	2.5379	2.5218	6.8282	6.1307	6.0135		1.7842	1.7937
H15	2.7734	4.1676	2.1905	5.1228	1.1006	2.5224	4.4242	4.6954	2.5389	3.0948	6.1307	5.0382	5.2435	1.7842		1.7849
H16	2.6788	4.0929	2.1710	5.0176	1.0974	2.9446	4.7040	4.2749	3.0912	2.5167	6.0135	5.2435	4.8249	1.7937	1.7849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	109.422	N1	C2	H7	113.107
N1	C2	H8	107.136	N1	C3	C5	109.422
N1	C3	H9	113.107	N1	C3	H10	107.136
C2	N1	C3	112.902	C2	N1	H6	109.215
C2	C4	H11	110.908	C2	C4	H12	110.377
C2	C4	H13	109.043	C3	N1	H6	109.215
C3	C5	H14	110.908	C3	C5	H15	110.377
C3	C5	H16	109.043	C4	C2	H7	110.035
C4	C2	H8	109.679	C5	C3	H8	149.695
C5	C3	H10	109.679	H7	C2	H8	107.367
H9	C3	H10	107.367	H11	C4	H12	108.396
H11	C4	H13	109.485	H12	C4	H13	108.593
H14	C5	H15	108.396	H14	C5	H16	109.485
H15	C5	H16	108.593

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

using model chemistry: QCISD/3-21G*

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: QCISD/3-21G*

States and conformations

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