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	hartrees
Energy at 0K	-213.005852
Energy at 298.15K	-213.018749
HF Energy	-212.354834
Nuclear repulsion energy	189.240840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3659	3400	0.45
2	A'	3229	3000	57.24
3	A'	3208	2981	90.94
4	A'	3167	2943	43.00
5	A'	3138	2915	17.52
6	A'	3059	2842	171.51
7	A'	1611	1497	2.30
8	A'	1579	1467	4.02
9	A'	1570	1459	16.00
10	A'	1516	1408	3.20
11	A'	1475	1370	1.78
12	A'	1397	1298	5.57
13	A'	1301	1209	1.78
14	A'	1233	1146	18.56
15	A'	1121	1041	7.24
16	A'	948	881	7.34
17	A'	870	808	10.71
18	A'	820	762	69.74
19	A'	445	414	0.42
20	A'	273	253	1.23
21	A'	196	182	0.81
22	A'	118	110	1.70
23	A"	3229	3000	11.43
24	A"	3207	2980	21.21
25	A"	3162	2938	0.81
26	A"	3137	2914	34.97
27	A"	3053	2837	7.03
28	A"	1604	1490	29.66
29	A"	1599	1485	1.82
30	A"	1575	1464	8.35
31	A"	1564	1453	9.94
32	A"	1494	1388	17.24
33	A"	1438	1336	19.61
34	A"	1354	1258	3.77
35	A"	1234	1147	47.12
36	A"	1174	1091	6.33
37	A"	1122	1043	2.62
38	A"	992	921	0.27
39	A"	840	781	0.43
40	A"	447	415	0.59
41	A"	273	253	0.70
42	A"	108	101	1.31

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.282	0.000
C2	0.017	0.517	1.212
C3	0.017	0.517	-1.212
C4	0.017	-0.370	2.445
C5	0.017	-0.370	-2.445
H6	-0.796	-0.877	0.000
H7	-0.833	1.212	1.253
H8	0.918	1.130	1.205
H9	-0.833	1.212	-1.253
H10	0.918	1.130	-1.205
H11	0.066	0.225	3.355
H12	-0.888	-0.974	2.495
H13	0.869	-1.044	2.423
H14	0.066	0.225	-3.355
H15	-0.888	-0.974	-2.495
H16	0.869	-1.044	-2.423

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4517	1.4517	2.4468	2.4468	1.0071	2.1270	2.0635	2.1270	2.0635	3.3931	2.7429	2.6792	3.3931	2.7429	2.6792
C2	1.4517		2.4243	1.5188	3.7633	2.0178	1.0985	1.0898	2.6987	2.6515	2.1627	2.1652	2.1513	4.5763	4.0969	4.0468
C3	1.4517	2.4243		3.7633	1.5188	2.0178	2.6987	2.6515	1.0985	1.0898	4.5763	4.0969	4.0468	2.1627	2.1652	2.1513
C4	2.4468	1.5188	3.7633		4.8903	2.6261	2.1553	2.1447	4.1112	4.0480	1.0880	1.0896	1.0867	5.8304	5.0586	4.9880
C5	2.4468	3.7633	1.5188	4.8903		2.6261	4.1112	4.0480	2.1553	2.1447	5.8304	5.0586	4.9880	1.0880	1.0896	1.0867
H6	1.0071	2.0178	2.0178	2.6261	2.6261		2.4357	2.9010	2.4357	2.9010	3.6345	2.4985	2.9450	3.6345	2.4985	2.9450
H7	2.1270	1.0985	2.6987	2.1553	4.1112	2.4357		1.7529	2.5063	3.0188	2.4893	2.5147	3.0584	4.7971	4.3393	4.6368
H8	2.0635	1.0898	2.6515	2.1447	4.0480	2.9010	1.7529		3.0188	2.4101	2.4830	3.0584	2.4925	4.7259	4.6239	4.2299
H9	2.1270	2.6987	1.0985	4.1112	2.1553	2.4357	2.5063	3.0188		1.7529	4.7971	4.3393	4.6368	2.4893	2.5147	3.0584
H10	2.0635	2.6515	1.0898	4.0480	2.1447	2.9010	3.0188	2.4101	1.7529		4.7259	4.6239	4.2299	2.4830	3.0584	2.4925
H11	3.3931	2.1627	4.5763	1.0880	5.8304	3.6345	2.4893	2.4830	4.7971	4.7259		1.7573	1.7674	6.7091	6.0469	5.9697
H12	2.7429	2.1652	4.0969	1.0896	5.0586	2.4985	2.5147	3.0584	4.3393	4.6239	1.7573		1.7606	6.0469	4.9898	5.2231
H13	2.6792	2.1513	4.0468	1.0867	4.9880	2.9450	3.0584	2.4925	4.6368	4.2299	1.7674	1.7606		5.9697	5.2231	4.8462
H14	3.3931	4.5763	2.1627	5.8304	1.0880	3.6345	4.7971	4.7259	2.4893	2.4830	6.7091	6.0469	5.9697		1.7573	1.7674
H15	2.7429	4.0969	2.1652	5.0586	1.0896	2.4985	4.3393	4.6239	2.5147	3.0584	6.0469	4.9898	5.2231	1.7573		1.7606
H16	2.6792	4.0468	2.1513	4.9880	1.0867	2.9450	4.6368	4.2299	3.0584	2.4925	5.9697	5.2231	4.8462	1.7674	1.7606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.890	N1	C2	H7	112.294
N1	C2	H8	107.717	N1	C3	C5	110.890
N1	C3	H9	112.294	N1	C3	H10	107.717
C2	N1	C3	113.227	C2	N1	H6	108.950
C2	C4	H11	111.048	C2	C4	H12	111.150
C2	C4	H13	110.214	C3	N1	H6	108.950
C3	C5	H14	111.048	C3	C5	H15	111.150
C3	C5	H16	110.214	C4	C2	H7	109.824
C4	C2	H8	109.510	C5	C3	H8	151.068
C5	C3	H10	109.510	H7	C2	H8	106.458
H9	C3	H10	106.458	H11	C4	H12	107.608
H11	C4	H13	108.723	H12	C4	H13	107.991
H14	C5	H15	107.608	H14	C5	H16	108.723
H15	C5	H16	107.991

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

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

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