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	hartrees
Energy at 0K	-213.867605
Energy at 298.15K	-213.880247
HF Energy	-213.867605
Nuclear repulsion energy	188.036559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3460	3460	1.82
2	A'	3108	3108	58.89
3	A'	3088	3088	90.29
4	A'	3034	3034	64.34
5	A'	3024	3024	12.22
6	A'	2909	2909	203.21
7	A'	1538	1538	0.82
8	A'	1515	1515	2.23
9	A'	1503	1503	13.51
10	A'	1429	1429	3.92
11	A'	1400	1400	0.24
12	A'	1319	1319	4.11
13	A'	1234	1234	1.25
14	A'	1162	1162	11.11
15	A'	1049	1049	6.64
16	A'	902	902	8.27
17	A'	821	821	0.59
18	A'	773	773	70.84
19	A'	415	415	0.17
20	A'	258	258	0.71
21	A'	178	178	0.63
22	A'	106	106	1.17
23	A"	3108	3108	15.23
24	A"	3088	3088	21.56
25	A"	3031	3031	5.00
26	A"	3023	3023	34.30
27	A"	2904	2904	14.47
28	A"	1528	1528	3.16
29	A"	1513	1513	0.75
30	A"	1510	1510	11.87
31	A"	1482	1482	17.98
32	A"	1415	1415	9.19
33	A"	1353	1353	33.32
34	A"	1285	1285	4.29
35	A"	1146	1146	53.31
36	A"	1110	1110	14.44
37	A"	1063	1063	1.26
38	A"	939	939	0.60
39	A"	804	804	0.33
40	A"	413	413	0.60
41	A"	257	257	0.74
42	A"	117	117	1.17

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.282	0.000
C2	0.017	0.522	1.223
C3	0.017	0.522	-1.223
C4	0.017	-0.375	2.458
C5	0.017	-0.375	-2.458
H6	-0.810	-0.876	0.000
H7	-0.835	1.226	1.271
H8	0.927	1.134	1.213
H9	-0.835	1.226	-1.271
H10	0.927	1.134	-1.213
H11	0.075	0.220	3.374
H12	-0.899	-0.975	2.507
H13	0.869	-1.060	2.427
H14	0.075	0.220	-3.374
H15	-0.899	-0.975	-2.507
H16	0.869	-1.060	-2.427

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4636	1.4636	2.4595	2.4595	1.0191	2.1479	2.0745	2.1479	2.0745	3.4111	2.7571	2.6871	3.4111	2.7571	2.6871
C2	1.4636		2.4465	1.5261	3.7888	2.0338	1.1063	1.0963	2.7280	2.6717	2.1721	2.1738	2.1622	4.6071	4.1219	4.0682
C3	1.4636	2.4465		3.7888	1.5261	2.0338	2.7280	2.6717	1.1063	1.0963	4.6071	4.1219	4.0682	2.1721	2.1738	2.1622
C4	2.4595	1.5261	3.7888		4.9155	2.6413	2.1676	2.1573	4.1462	4.0720	1.0937	1.0957	1.0929	5.8619	5.0836	5.0054
C5	2.4595	3.7888	1.5261	4.9155		2.6413	4.1462	4.0720	2.1676	2.1573	5.8619	5.0836	5.0054	1.0937	1.0957	1.0929
H6	1.0191	2.0338	2.0338	2.6413	2.6413		2.4563	2.9208	2.4563	2.9208	3.6560	2.5100	2.9570	3.6560	2.5100	2.9570
H7	2.1479	1.1063	2.7280	2.1676	4.1462	2.4563		1.7650	2.5415	3.0466	2.5022	2.5244	3.0761	4.8382	4.3719	4.6689
H8	2.0745	1.0963	2.6717	2.1573	4.0720	2.9208	1.7650		3.0466	2.4264	2.4956	3.0743	2.5078	4.7538	4.6492	4.2505
H9	2.1479	2.7280	1.1063	4.1462	2.1676	2.4563	2.5415	3.0466		1.7650	4.8382	4.3719	4.6689	2.5022	2.5244	3.0761
H10	2.0745	2.6717	1.0963	4.0720	2.1573	2.9208	3.0466	2.4264	1.7650		4.7538	4.6492	4.2505	2.4956	3.0743	2.5078
H11	3.4111	2.1721	4.6071	1.0937	5.8619	3.6560	2.5022	2.4956	4.8382	4.7538		1.7683	1.7786	6.7470	6.0787	5.9928
H12	2.7571	2.1738	4.1219	1.0957	5.0836	2.5100	2.5244	3.0743	4.3719	4.6492	1.7683		1.7713	6.0787	5.0131	5.2413
H13	2.6871	2.1622	4.0682	1.0929	5.0054	2.9570	3.0761	2.5078	4.6689	4.2505	1.7786	1.7713		5.9928	5.2413	4.8540
H14	3.4111	4.6071	2.1721	5.8619	1.0937	3.6560	4.8382	4.7538	2.5022	2.4956	6.7470	6.0787	5.9928		1.7683	1.7786
H15	2.7571	4.1219	2.1738	5.0836	1.0957	2.5100	4.3719	4.6492	2.5244	3.0743	6.0787	5.0131	5.2413	1.7683		1.7713
H16	2.6871	4.0682	2.1622	5.0054	1.0929	2.9570	4.6689	4.2505	3.0761	2.5078	5.9928	5.2413	4.8540	1.7786	1.7713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.689	N1	C2	H7	112.653
N1	C2	H8	107.393	N1	C3	C5	110.689
N1	C3	H9	112.653	N1	C3	H10	107.393
C2	N1	C3	113.393	C2	N1	H6	108.683
C2	C4	H11	110.937	C2	C4	H12	110.953
C2	C4	H13	110.203	C3	N1	H6	108.683
C3	C5	H14	110.937	C3	C5	H15	110.953
C3	C5	H16	110.203	C4	C2	H7	109.831
C4	C2	H8	109.616	C5	C3	H8	150.740
C5	C3	H10	109.616	H7	C2	H8	106.513
H9	C3	H10	106.513	H11	C4	H12	107.730
H11	C4	H13	108.863	H12	C4	H13	108.061
H14	C5	H15	107.730	H14	C5	H16	108.863
H15	C5	H16	108.061

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

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	N	-0.405
2	C	-0.094
3	C	-0.094
4	C	-0.308
5	C	-0.308
6	H	0.181
7	H	0.082
8	H	0.109
9	H	0.082
10	H	0.109
11	H	0.107
12	H	0.101
13	H	0.116
14	H	0.107
15	H	0.101
16	H	0.116

	x	y	z	Total
	-0.783	0.435	0.000	0.896
CHELPG
AIM
ESP

	x	y	z
x	7.397	0.019	0.000
y	0.019	7.951	0.000
z	0.000	0.000	10.196

<r²>	187.913
(<r²>)^1/2	13.708

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

using model chemistry: TPSSh/6-311G**

States and conformations

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