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	hartrees
Energy at 0K	-213.025269
Energy at 298.15K	-213.038092
HF Energy	-212.312933
Nuclear repulsion energy	188.698937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3505	3303	0.33
2	A'	3214	3029	35.16
3	A'	3191	3006	51.16
4	A'	3130	2949	48.94
5	A'	3107	2927	9.64
6	A'	3009	2835	141.77
7	A'	1592	1500	0.71
8	A'	1565	1475	2.84
9	A'	1556	1466	13.10
10	A'	1482	1397	3.81
11	A'	1444	1360	0.37
12	A'	1360	1282	3.85
13	A'	1282	1207	2.06
14	A'	1205	1135	13.04
15	A'	1102	1038	5.74
16	A'	938	884	12.71
17	A'	855	805	2.54
18	A'	813	766	75.71
19	A'	437	412	0.29
20	A'	275	259	1.36
21	A'	192	181	0.95
22	A'	117	110	1.47
23	A"	3214	3029	5.84
24	A"	3191	3006	14.00
25	A"	3128	2947	0.67
26	A"	3107	2927	25.28
27	A"	3007	2833	9.04
28	A"	1581	1490	2.71
29	A"	1565	1474	0.01
30	A"	1560	1470	8.37
31	A"	1520	1432	31.30
32	A"	1468	1383	13.24
33	A"	1400	1319	24.28
34	A"	1326	1249	3.62
35	A"	1201	1131	40.95
36	A"	1151	1085	9.00
37	A"	1104	1040	5.76
38	A"	978	921	0.15
39	A"	834	786	0.58
40	A"	439	414	0.67
41	A"	275	259	0.74
42	A"	115	109	1.33

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.289	0.000
C2	0.017	0.519	1.215
C3	0.017	0.519	-1.215
C4	0.017	-0.371	2.446
C5	0.017	-0.371	-2.446
H6	-0.822	-0.871	0.000
H7	-0.832	1.226	1.259
H8	0.928	1.129	1.202
H9	-0.832	1.226	-1.259
H10	0.928	1.129	-1.202
H11	0.062	0.225	3.362
H12	-0.892	-0.979	2.488
H13	0.876	-1.045	2.420
H14	0.062	0.225	-3.362
H15	-0.892	-0.979	-2.488
H16	0.876	-1.045	-2.420

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4592	1.4592	2.4473	2.4473	1.0215	2.1444	2.0696	2.1444	2.0696	3.4009	2.7373	2.6767	3.4009	2.7373	2.6767
C2	1.4592		2.4301	1.5193	3.7678	2.0282	1.1054	1.0959	2.7091	2.6535	2.1672	2.1661	2.1532	4.5864	4.0968	4.0493
C3	1.4592	2.4301		3.7678	1.5193	2.0282	2.7091	2.6535	1.1054	1.0959	4.5864	4.0968	4.0493	2.1672	2.1661	2.1532
C4	2.4473	1.5193	3.7678		4.8919	2.6338	2.1635	2.1514	4.1226	4.0479	1.0935	1.0946	1.0917	5.8383	5.0536	4.9866
C5	2.4473	3.7678	1.5193	4.8919		2.6338	4.1226	4.0479	2.1635	2.1514	5.8383	5.0536	4.9866	1.0935	1.0946	1.0917
H6	1.0215	2.0282	2.0282	2.6338	2.6338		2.4454	2.9165	2.4454	2.9165	3.6446	2.4912	2.9612	3.6446	2.4912	2.9612
H7	2.1444	1.1054	2.7091	2.1635	4.1226	2.4454		1.7632	2.5174	3.0264	2.4948	2.5248	3.0693	4.8114	4.3475	4.6480
H8	2.0696	1.0959	2.6535	2.1514	4.0479	2.9165	1.7632		3.0264	2.4033	2.4965	3.0677	2.4928	4.7319	4.6226	4.2244
H9	2.1444	2.7091	1.1054	4.1226	2.1635	2.4454	2.5174	3.0264		1.7632	4.8114	4.3475	4.6480	2.4948	2.5248	3.0693
H10	2.0696	2.6535	1.0959	4.0479	2.1514	2.9165	3.0264	2.4033	1.7632		4.7319	4.6226	4.2244	2.4965	3.0677	2.4928
H11	3.4009	2.1672	4.5864	1.0935	5.8383	3.6446	2.4948	2.4965	4.8114	4.7319		1.7672	1.7780	6.7233	6.0478	5.9749
H12	2.7373	2.1661	4.0968	1.0946	5.0536	2.4912	2.5248	3.0677	4.3475	4.6226	1.7672		1.7706	6.0478	4.9757	5.2168
H13	2.6767	2.1532	4.0493	1.0917	4.9866	2.9612	3.0693	2.4928	4.6480	4.2244	1.7780	1.7706		5.9749	5.2168	4.8396
H14	3.4009	4.5864	2.1672	5.8383	1.0935	3.6446	4.8114	4.7319	2.4948	2.4965	6.7233	6.0478	5.9749		1.7672	1.7780
H15	2.7373	4.0968	2.1661	5.0536	1.0946	2.4912	4.3475	4.6226	2.5248	3.0677	6.0478	4.9757	5.2168	1.7672		1.7706
H16	2.6767	4.0493	2.1532	4.9866	1.0917	2.9612	4.6480	4.2244	3.0693	2.4928	5.9749	5.2168	4.8396	1.7780	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.487	N1	C2	H7	112.749
N1	C2	H8	107.338	N1	C3	C5	110.487
N1	C3	H9	112.749	N1	C3	H10	107.338
C2	N1	C3	112.751	C2	N1	H6	108.400
C2	C4	H11	111.036	C2	C4	H12	110.883
C2	C4	H13	110.023	C3	N1	H6	108.400
C3	C5	H14	111.036	C3	C5	H15	110.883
C3	C5	H16	110.023	C4	C2	H7	110.031
C4	C2	H8	109.642	C5	C3	H8	150.760
C5	C3	H10	109.642	H7	C2	H8	106.447
H9	C3	H10	106.447	H11	C4	H12	107.740
H11	C4	H13	108.907	H12	C4	H13	108.165
H14	C5	H15	107.740	H14	C5	H16	108.907
H15	C5	H16	108.165

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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