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	hartrees
Energy at 0K	-211.620765
Energy at 298.15K	-211.633512
HF Energy	-211.135889
Nuclear repulsion energy	186.211921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3400	3223	3.14
2	A'	3181	3016	36.59
3	A'	3155	2991	54.71
4	A'	3111	2949	36.29
5	A'	3087	2927	8.89
6	A'	2988	2833	130.78
7	A'	1625	1541	0.43
8	A'	1606	1523	2.90
9	A'	1595	1512	12.39
10	A'	1487	1410	5.61
11	A'	1461	1385	0.41
12	A'	1368	1297	1.46
13	A'	1290	1223	3.71
14	A'	1191	1129	6.70
15	A'	1032	979	0.27
16	A'	938	889	15.01
17	A'	866	821	5.02
18	A'	739	700	85.53
19	A'	422	400	0.33
20	A'	272	258	1.50
21	A'	186	176	1.22
22	A'	105	99	1.67
23	A"	3181	3016	6.06
24	A"	3155	2991	15.18
25	A"	3109	2947	1.34
26	A"	3087	2926	21.68
27	A"	2986	2831	6.80
28	A"	1616	1532	1.60
29	A"	1604	1521	3.53
30	A"	1597	1514	3.81
31	A"	1530	1451	9.09
32	A"	1485	1408	10.59
33	A"	1408	1335	32.26
34	A"	1351	1281	5.11
35	A"	1165	1104	2.09
36	A"	1134	1075	55.73
37	A"	1087	1031	3.15
38	A"	938	890	0.30
39	A"	856	811	1.14
40	A"	424	402	1.36
41	A"	268	254	1.00
42	A"	121	114	1.52

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.283	0.000
C2	0.017	0.541	1.245
C3	0.017	0.541	-1.245
C4	0.017	-0.389	2.477
C5	0.017	-0.389	-2.477
H6	-0.808	-0.898	0.000
H7	-0.835	1.244	1.302
H8	0.934	1.141	1.235
H9	-0.835	1.244	-1.302
H10	0.934	1.141	-1.235
H11	0.092	0.190	3.404
H12	-0.908	-0.976	2.511
H13	0.864	-1.075	2.405
H14	0.092	0.190	-3.404
H15	-0.908	-0.976	-2.511
H16	0.864	-1.075	-2.405

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4937	1.4937	2.4792	2.4792	1.0286	2.1798	2.0962	2.1798	2.0962	3.4372	2.7642	2.6704	3.4372	2.7642	2.6704
C2	1.4937		2.4908	1.5432	3.8367	2.0745	1.1054	1.0958	2.7760	2.7115	2.1880	2.1817	2.1623	4.6629	4.1556	4.0815
C3	1.4937	2.4908		3.8367	1.5432	2.0745	2.7760	2.7115	1.1054	1.0958	4.6629	4.1556	4.0815	2.1880	2.1817	2.1623
C4	2.4792	1.5432	3.8367		4.9539	2.6598	2.1842	2.1733	4.2033	4.1179	1.0950	1.0960	1.0928	5.9094	5.1069	5.0027
C5	2.4792	3.8367	1.5432	4.9539		2.6598	4.2033	4.1179	2.1842	2.1733	5.9094	5.1069	5.0027	1.0950	1.0960	1.0928
H6	1.0286	2.0745	2.0745	2.6598	2.6598		2.5068	2.9524	2.5068	2.9524	3.6849	2.5143	2.9347	3.6849	2.5143	2.9347
H7	2.1798	1.1054	2.7760	2.1842	4.2033	2.5068		1.7733	2.6034	3.0942	2.5276	2.5291	3.0791	4.9103	4.4127	4.6910
H8	2.0962	1.0958	2.7115	2.1733	4.1179	2.9524	1.7733		3.0942	2.4696	2.5133	3.0827	2.5067	4.8091	4.6804	4.2620
H9	2.1798	2.7760	1.1054	4.2033	2.1842	2.5068	2.6034	3.0942		1.7733	4.9103	4.4127	4.6910	2.5276	2.5291	3.0791
H10	2.0962	2.7115	1.0958	4.1179	2.1733	2.9524	3.0942	2.4696	1.7733		4.8091	4.6804	4.2620	2.5133	3.0827	2.5067
H11	3.4372	2.1880	4.6629	1.0950	5.9094	3.6849	2.5276	2.5133	4.9103	4.8091		1.7766	1.7864	6.8072	6.1110	5.9950
H12	2.7642	2.1817	4.1556	1.0960	5.1069	2.5143	2.5291	3.0827	4.4127	4.6804	1.7766		1.7778	6.1110	5.0223	5.2271
H13	2.6704	2.1623	4.0815	1.0928	5.0027	2.9347	3.0791	2.5067	4.6910	4.2620	1.7864	1.7778		5.9950	5.2271	4.8109
H14	3.4372	4.6629	2.1880	5.9094	1.0950	3.6849	4.9103	4.8091	2.5276	2.5133	6.8072	6.1110	5.9950		1.7766	1.7864
H15	2.7642	4.1556	2.1817	5.1069	1.0960	2.5143	4.4127	4.6804	2.5291	3.0827	6.1110	5.0223	5.2271	1.7766		1.7778
H16	2.6704	4.0815	2.1623	5.0027	1.0928	2.9347	4.6910	4.2620	3.0791	2.5067	5.9950	5.2271	4.8109	1.7864	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	109.434	N1	C2	H7	113.157
N1	C2	H8	107.091	N1	C3	C5	109.434
N1	C3	H9	113.157	N1	C3	H10	107.091
C2	N1	C3	112.980	C2	N1	H6	109.283
C2	C4	H11	110.924	C2	C4	H12	110.370
C2	C4	H13	109.035	C3	N1	H6	109.283
C3	C5	H14	110.924	C3	C5	H15	110.370
C3	C5	H16	109.035	C4	C2	H7	110.012
C4	C2	H8	109.711	C5	C3	H8	149.675
C5	C3	H10	109.711	H7	C2	H8	107.339
H9	C3	H10	107.339	H11	C4	H12	108.366
H11	C4	H13	109.479	H12	C4	H13	108.628
H14	C5	H15	108.366	H14	C5	H16	109.479
H15	C5	H16	108.628

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

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G*

States and conformations

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