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	hartrees
Energy at 0K	-213.568404
Energy at 298.15K	-213.581096
HF Energy	-213.568404
Nuclear repulsion energy	188.671803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3546	3385	0.01
2	A'	3154	3012	39.81
3	A'	3134	2992	62.61
4	A'	3068	2930	57.99
5	A'	3057	2919	12.52
6	A'	2944	2811	199.34
7	A'	1528	1459	2.29
8	A'	1502	1434	3.55
9	A'	1492	1425	18.56
10	A'	1435	1370	3.35
11	A'	1394	1331	1.39
12	A'	1322	1262	4.67
13	A'	1233	1177	2.27
14	A'	1171	1118	16.48
15	A'	1081	1032	8.76
16	A'	905	864	5.16
17	A'	828	791	1.42
18	A'	763	729	87.72
19	A'	430	410	0.31
20	A'	256	244	1.40
21	A'	187	179	1.02
22	A'	114	109	1.49
23	A"	3154	3012	10.78
24	A"	3133	2992	15.35
25	A"	3068	2929	1.84
26	A"	3056	2918	33.05
27	A"	2940	2807	17.39
28	A"	1517	1449	15.01
29	A"	1511	1442	10.25
30	A"	1498	1430	10.18
31	A"	1482	1415	16.57
32	A"	1413	1349	19.39
33	A"	1357	1296	21.73
34	A"	1284	1226	4.03
35	A"	1193	1139	50.55
36	A"	1117	1067	7.88
37	A"	1073	1024	4.12
38	A"	956	913	0.06
39	A"	809	772	0.43
40	A"	430	410	0.42
41	A"	257	246	0.69
42	A"	118	113	1.20

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.276	0.000
C2	0.017	0.516	1.217
C3	0.017	0.516	-1.217
C4	0.017	-0.372	2.449
C5	0.017	-0.372	-2.449
H6	-0.784	-0.903	0.000
H7	-0.837	1.220	1.263
H8	0.924	1.135	1.209
H9	-0.837	1.220	-1.263
H10	0.924	1.135	-1.209
H11	0.050	0.229	3.364
H12	-0.888	-0.989	2.493
H13	0.881	-1.042	2.439
H14	0.050	0.229	-3.364
H15	-0.888	-0.989	-2.493
H16	0.881	-1.042	-2.439

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4520	1.4520	2.4514	2.4514	1.0167	2.1360	2.0676	2.1360	2.0676	3.4017	2.7459	2.6986	3.4017	2.7459	2.6986
C2	1.4520		2.4336	1.5191	3.7723	2.0333	1.1078	1.0979	2.7154	2.6626	2.1665	2.1707	2.1607	4.5898	4.1041	4.0669
C3	1.4520	2.4336		3.7723	1.5191	2.0333	2.7154	2.6626	1.1078	1.0979	4.5898	4.1041	4.0669	2.1665	2.1707	2.1607
C4	2.4514	1.5191	3.7723		4.8990	2.6312	2.1613	2.1520	4.1284	4.0591	1.0943	1.0965	1.0940	5.8444	5.0620	5.0093
C5	2.4514	3.7723	1.5191	4.8990		2.6312	4.1284	4.0591	2.1613	2.1520	5.8444	5.0620	5.0093	1.0943	1.0965	1.0940
H6	1.0167	2.0333	2.0333	2.6312	2.6312		2.4702	2.9204	2.4702	2.9204	3.6456	2.4962	2.9565	3.6456	2.4962	2.9565
H7	2.1360	1.1078	2.7154	2.1613	4.1284	2.4702		1.7641	2.5256	3.0362	2.4868	2.5285	3.0746	4.8141	4.3570	4.6661
H8	2.0676	1.0979	2.6626	2.1520	4.0591	2.9204	1.7641		3.0362	2.4178	2.4957	3.0727	2.5006	4.7429	4.6362	4.2482
H9	2.1360	2.7154	1.1078	4.1284	2.1613	2.4702	2.5256	3.0362		1.7641	4.8141	4.3570	4.6661	2.4868	2.5285	3.0746
H10	2.0676	2.6626	1.0979	4.0591	2.1520	2.9204	3.0362	2.4178	1.7641		4.7429	4.6362	4.2482	2.4957	3.0727	2.5006
H11	3.4017	2.1665	4.5898	1.0943	5.8444	3.6456	2.4868	2.4957	4.8141	4.7429		1.7669	1.7780	6.7277	6.0547	5.9982
H12	2.7459	2.1707	4.1041	1.0965	5.0620	2.4962	2.5285	3.0727	4.3570	4.6362	1.7669		1.7714	6.0547	4.9850	5.2397
H13	2.6986	2.1607	4.0669	1.0940	5.0093	2.9565	3.0746	2.5006	4.6661	4.2482	1.7780	1.7714		5.9982	5.2397	4.8779
H14	3.4017	4.5898	2.1665	5.8444	1.0943	3.6456	4.8141	4.7429	2.4868	2.4957	6.7277	6.0547	5.9982		1.7669	1.7780
H15	2.7459	4.1041	2.1707	5.0620	1.0965	2.4962	4.3570	4.6362	2.5285	3.0727	6.0547	4.9850	5.2397	1.7669		1.7714
H16	2.6986	4.0669	2.1607	5.0093	1.0940	2.9565	4.6661	4.2482	3.0746	2.5006	5.9982	5.2397	4.8779	1.7780	1.7714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.169	N1	C2	H7	112.422
N1	C2	H8	107.544	N1	C3	C5	111.169
N1	C3	H9	112.422	N1	C3	H10	107.544
C2	N1	C3	113.862	C2	N1	H6	109.644
C2	C4	H11	110.939	C2	C4	H12	111.148
C2	C4	H13	110.502	C3	N1	H6	109.644
C3	C5	H14	110.939	C3	C5	H15	111.148
C3	C5	H16	110.502	C4	C2	H7	109.730
C4	C2	H8	109.582	C5	C3	H8	151.051
C5	C3	H10	109.582	H7	C2	H8	106.222
H9	C3	H10	106.222	H11	C4	H12	107.513
H11	C4	H13	108.683	H12	C4	H13	107.938
H14	C5	H15	107.513	H14	C5	H16	108.683
H15	C5	H16	107.938

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.334
2	C	-0.125
3	C	-0.125
4	C	-0.637
5	C	-0.637
6	H	0.281
7	H	0.133
8	H	0.151
9	H	0.133
10	H	0.151
11	H	0.164
12	H	0.157
13	H	0.183
14	H	0.164
15	H	0.157
16	H	0.183

	x	y	z	Total
	-0.844	0.433	0.000	0.948
CHELPG
AIM
ESP

	x	y	z
x	7.603	-0.172	0.000
y	-0.172	8.340	0.000
z	0.000	0.000	10.071

<r²>	187.011
(<r²>)^1/2	13.675

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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