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	hartrees
Energy at 0K	-212.758481
Energy at 298.15K	-212.771166
HF Energy	-212.218385
Nuclear repulsion energy	185.938912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3477	3336	2.60
2	A'	3111	2985	54.06
3	A'	3087	2962	73.91
4	A'	3035	2912	51.30
5	A'	3017	2895	14.62
6	A'	2914	2796	157.39
7	A'	1586	1521	0.36
8	A'	1556	1493	2.97
9	A'	1546	1484	11.77
10	A'	1471	1412	4.18
11	A'	1455	1396	0.07
12	A'	1336	1282	2.62
13	A'	1274	1223	3.64
14	A'	1190	1142	10.33
15	A'	1071	1028	2.93
16	A'	918	881	7.23
17	A'	849	815	0.77
18	A'	728	699	113.48
19	A'	429	412	0.56
20	A'	257	246	1.67
21	A'	187	180	1.43
22	A'	103	99	2.04
23	A"	3111	2985	8.89
24	A"	3086	2961	22.49
25	A"	3032	2909	1.00
26	A"	3017	2894	30.10
27	A"	2909	2792	8.26
28	A"	1576	1513	0.91
29	A"	1560	1497	3.78
30	A"	1552	1489	12.15
31	A"	1534	1472	12.72
32	A"	1468	1408	10.69
33	A"	1405	1348	24.93
34	A"	1318	1265	3.51
35	A"	1174	1127	33.27
36	A"	1155	1108	20.82
37	A"	1092	1048	1.62
38	A"	958	919	0.63
39	A"	838	804	0.58
40	A"	432	414	0.69
41	A"	256	245	0.81
42	A"	107	103	1.53

Atom	x (Å)	y (Å)	z (Å)
N1	0.016	-0.264	0.000
C2	0.016	0.534	1.249
C3	0.016	0.534	-1.249
C4	0.016	-0.389	2.484
C5	0.016	-0.389	-2.484
H6	-0.745	-0.948	0.000
H7	-0.845	1.239	1.303
H8	0.931	1.152	1.244
H9	-0.845	1.239	-1.303
H10	0.931	1.152	-1.244
H11	0.064	0.201	3.414
H12	-0.903	-1.001	2.518
H13	0.882	-1.066	2.445
H14	0.064	0.201	-3.414
H15	-0.903	-1.001	-2.518
H16	0.882	-1.066	-2.445

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4817	1.4817	2.4872	2.4872	1.0235	2.1677	2.0949	2.1677	2.0949	3.4461	2.7796	2.7154	3.4461	2.7796	2.7154
C2	1.4817		2.4972	1.5419	3.8450	2.0822	1.1143	1.1041	2.7841	2.7259	2.1915	2.1931	2.1780	4.6749	4.1695	4.1177
C3	1.4817	2.4972		3.8450	1.5419	2.0822	2.7841	2.7259	1.1143	1.1041	4.6749	4.1695	4.1177	2.1915	2.1931	2.1780
C4	2.4872	1.5419	3.8450		4.9682	2.6577	2.1875	2.1792	4.2113	4.1360	1.1025	1.1042	1.1009	5.9279	5.1223	5.0504
C5	2.4872	3.8450	1.5419	4.9682		2.6577	4.2113	4.1360	2.1875	2.1792	5.9279	5.1223	5.0504	1.1025	1.1042	1.1009
H6	1.0235	2.0822	2.0822	2.6577	2.6577		2.5484	2.9609	2.5484	2.9609	3.6924	2.5233	2.9395	3.6924	2.5233	2.9395
H7	2.1677	1.1143	2.7841	2.1875	4.2113	2.5484		1.7791	2.6066	3.1062	2.5219	2.5487	3.0990	4.9151	4.4297	4.7276
H8	2.0949	1.1041	2.7259	2.1792	4.1360	2.9609	1.7791		3.1062	2.4873	2.5230	3.1014	2.5233	4.8322	4.7058	4.3047
H9	2.1677	2.7841	1.1143	4.2113	2.1875	2.5484	2.6066	3.1062		1.7791	4.9151	4.4297	4.7276	2.5219	2.5487	3.0990
H10	2.0949	2.7259	1.1041	4.1360	2.1792	2.9609	3.1062	2.4873	1.7791		4.8322	4.7058	4.3047	2.5230	3.1014	2.5233
H11	3.4461	2.1915	4.6749	1.1025	5.9279	3.6924	2.5219	2.5230	4.9151	4.8322		1.7842	1.7933	6.8284	6.1294	6.0504
H12	2.7796	2.1931	4.1695	1.1042	5.1223	2.5233	2.5487	3.1014	4.4297	4.7058	1.7842		1.7875	6.1294	5.0357	5.2745
H13	2.7154	2.1780	4.1177	1.1009	5.0504	2.9395	3.0990	2.5233	4.7276	4.3047	1.7933	1.7875		6.0504	5.2745	4.8901
H14	3.4461	4.6749	2.1915	5.9279	1.1025	3.6924	4.9151	4.8322	2.5219	2.5230	6.8284	6.1294	6.0504		1.7842	1.7933
H15	2.7796	4.1695	2.1931	5.1223	1.1042	2.5233	4.4297	4.7058	2.5487	3.1014	6.1294	5.0357	5.2745	1.7842		1.7875
H16	2.7154	4.1177	2.1780	5.0504	1.1009	2.9395	4.7276	4.3047	3.0990	2.5233	6.0504	5.2745	4.8901	1.7933	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.676	N1	C2	H7	112.465
N1	C2	H8	107.314	N1	C3	C5	110.676
N1	C3	H9	112.465	N1	C3	H10	107.314
C2	N1	C3	114.847	C2	N1	H6	111.108
C2	C4	H11	110.844	C2	C4	H12	110.869
C2	C4	H13	109.878	C3	N1	H6	111.108
C3	C5	H14	110.844	C3	C5	H15	110.869
C3	C5	H16	109.878	C4	C2	H7	109.838
C4	C2	H8	109.785	C5	C3	H8	150.257
C5	C3	H10	109.785	H7	C2	H8	106.630
H9	C3	H10	106.630	H11	C4	H12	107.907
H11	C4	H13	108.956	H12	C4	H13	108.315
H14	C5	H15	107.907	H14	C5	H16	108.956
H15	C5	H16	108.315

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)