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	hartrees
Energy at 0K	-213.758738
Energy at 298.15K	-213.771456
HF Energy	-213.758738
Nuclear repulsion energy	188.794379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3545	3373	0.71
2	A'	3169	3015	39.20
3	A'	3147	2994	61.62
4	A'	3077	2928	66.13
5	A'	3069	2920	7.52
6	A'	2955	2812	171.23
7	A'	1546	1471	0.96
8	A'	1517	1444	2.39
9	A'	1507	1434	13.49
10	A'	1448	1377	2.99
11	A'	1406	1338	0.64
12	A'	1332	1268	3.49
13	A'	1245	1184	1.61
14	A'	1180	1123	15.83
15	A'	1081	1029	6.02
16	A'	914	869	8.10
17	A'	832	792	1.56
18	A'	777	740	82.39
19	A'	430	409	0.30
20	A'	261	248	1.07
21	A'	187	178	0.96
22	A'	113	108	1.23
23	A"	3168	3015	10.75
24	A"	3146	2994	13.92
25	A"	3075	2926	4.15
26	A"	3068	2919	25.48
27	A"	2949	2806	13.97
28	A"	1533	1459	9.47
29	A"	1522	1448	9.86
30	A"	1513	1440	8.65
31	A"	1493	1421	17.66
32	A"	1425	1356	15.44
33	A"	1367	1301	29.12
34	A"	1294	1231	3.79
35	A"	1195	1137	46.82
36	A"	1123	1069	8.04
37	A"	1078	1025	4.64
38	A"	960	913	0.04
39	A"	814	775	0.49
40	A"	429	408	0.56
41	A"	262	250	0.71
42	A"	120	114	1.15

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.278	0.000
C2	0.017	0.516	1.215
C3	0.017	0.516	-1.215
C4	0.017	-0.372	2.448
C5	0.017	-0.372	-2.448
H6	-0.798	-0.885	0.000
H7	-0.831	1.225	1.266
H8	0.925	1.132	1.209
H9	-0.831	1.225	-1.266
H10	0.925	1.132	-1.209
H11	0.062	0.225	3.362
H12	-0.892	-0.980	2.496
H13	0.873	-1.050	2.429
H14	0.062	0.225	-3.362
H15	-0.892	-0.980	-2.496
H16	0.873	-1.050	-2.429

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4519	1.4519	2.4495	2.4495	1.0159	2.1403	2.0674	2.1403	2.0674	3.3994	2.7476	2.6884	3.3994	2.7476	2.6884
C2	1.4519		2.4299	1.5195	3.7689	2.0257	1.1063	1.0967	2.7155	2.6604	2.1668	2.1697	2.1586	4.5861	4.1035	4.0575
C3	1.4519	2.4299		3.7689	1.5195	2.0257	2.7155	2.6604	1.1063	1.0967	4.5861	4.1035	4.0575	2.1668	2.1697	2.1586
C4	2.4495	1.5195	3.7689		4.8953	2.6303	2.1604	2.1495	4.1301	4.0566	1.0927	1.0949	1.0921	5.8401	5.0633	4.9973
C5	2.4495	3.7689	1.5195	4.8953		2.6303	4.1301	4.0566	2.1604	2.1495	5.8401	5.0633	4.9973	1.0927	1.0949	1.0921
H6	1.0159	2.0257	2.0257	2.6303	2.6303		2.4602	2.9148	2.4602	2.9148	3.6431	2.4997	2.9531	3.6431	2.4997	2.9531
H7	2.1403	1.1063	2.7155	2.1604	4.1301	2.4602		1.7593	2.5310	3.0355	2.4884	2.5261	3.0712	4.8175	4.3607	4.6613
H8	2.0674	1.0967	2.6604	2.1495	4.0566	2.9148	1.7593		3.0355	2.4177	2.4901	3.0691	2.5000	4.7387	4.6356	4.2420
H9	2.1403	2.7155	1.1063	4.1301	2.1604	2.4602	2.5310	3.0355		1.7593	4.8175	4.3607	4.6613	2.4884	2.5261	3.0712
H10	2.0674	2.6604	1.0967	4.0566	2.1495	2.9148	3.0355	2.4177	1.7593		4.7387	4.6356	4.2420	2.4901	3.0691	2.5000
H11	3.3994	2.1668	4.5861	1.0927	5.8401	3.6431	2.4884	2.4901	4.8175	4.7387		1.7644	1.7755	6.7233	6.0561	5.9843
H12	2.7476	2.1697	4.1035	1.0949	5.0633	2.4997	2.5261	3.0691	4.3607	4.6356	1.7644		1.7682	6.0561	4.9921	5.2323
H13	2.6884	2.1586	4.0575	1.0921	4.9973	2.9531	3.0712	2.5000	4.6613	4.2420	1.7755	1.7682		5.9843	5.2323	4.8577
H14	3.3994	4.5861	2.1668	5.8401	1.0927	3.6431	4.8175	4.7387	2.4884	2.4901	6.7233	6.0561	5.9843		1.7644	1.7755
H15	2.7476	4.1035	2.1697	5.0633	1.0949	2.4997	4.3607	4.6356	2.5261	3.0691	6.0561	4.9921	5.2323	1.7644		1.7682
H16	2.6884	4.0575	2.1586	4.9973	1.0921	2.9531	4.6613	4.2420	3.0712	2.5000	5.9843	5.2323	4.8577	1.7755	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.024	N1	C2	H7	112.883
N1	C2	H8	107.608	N1	C3	C5	111.024
N1	C3	H9	112.883	N1	C3	H10	107.608
C2	N1	C3	113.615	C2	N1	H6	109.065
C2	C4	H11	111.039	C2	C4	H12	111.140
C2	C4	H13	110.412	C3	N1	H6	109.065
C3	C5	H14	111.039	C3	C5	H15	111.140
C3	C5	H16	110.412	C4	C2	H7	109.720
C4	C2	H8	109.429	C5	C3	H8	150.968
C5	C3	H10	109.429	H7	C2	H8	105.989
H9	C3	H10	105.989	H11	C4	H12	107.521
H11	C4	H13	108.715	H12	C4	H13	107.895
H14	C5	H15	107.521	H14	C5	H16	108.715
H15	C5	H16	107.895

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

using model chemistry: mPW1PW91/6-31G**

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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Number	Element	Mulliken
1	N	-0.527
2	C	-0.084
3	C	-0.084
4	C	-0.408
5	C	-0.408
6	H	0.251
7	H	0.098
8	H	0.130
9	H	0.098
10	H	0.130
11	H	0.130
12	H	0.125
13	H	0.148
14	H	0.130
15	H	0.125
16	H	0.148

	x	y	z	Total
	-0.807	0.358	0.000	0.882
CHELPG
AIM
ESP

	x	y	z
x	6.856	0.118	0.000
y	0.118	7.223	0.000
z	0.000	0.000	9.190

<r²>	186.194
(<r²>)^1/2	13.645

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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