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	hartrees
Energy at 0K	-213.619655
Energy at 298.15K	-213.632361
HF Energy	-213.619655
Nuclear repulsion energy	189.033700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3534	3393	0.05
2	A'	3138	3013	39.83
3	A'	3118	2994	63.22
4	A'	3056	2934	59.87
5	A'	3047	2925	7.65
6	A'	2934	2817	181.27
7	A'	1527	1466	3.01
8	A'	1499	1439	3.21
9	A'	1487	1428	16.75
10	A'	1433	1376	2.97
11	A'	1396	1341	2.13
12	A'	1320	1268	3.96
13	A'	1234	1185	1.81
14	A'	1172	1125	15.82
15	A'	1077	1034	7.88
16	A'	906	870	5.10
17	A'	830	797	0.93
18	A'	762	732	86.28
19	A'	429	412	0.31
20	A'	259	249	1.02
21	A'	185	178	0.89
22	A'	110	106	1.29
23	A"	3138	3013	10.48
24	A"	3118	2994	15.15
25	A"	3054	2932	4.42
26	A"	3046	2925	25.42
27	A"	2930	2813	16.01
28	A"	1516	1456	12.44
29	A"	1510	1449	11.70
30	A"	1494	1435	9.09
31	A"	1479	1420	11.06
32	A"	1411	1354	17.38
33	A"	1359	1305	22.14
34	A"	1285	1234	4.37
35	A"	1185	1138	51.94
36	A"	1119	1074	8.42
37	A"	1073	1030	2.85
38	A"	955	917	0.25
39	A"	811	779	0.42
40	A"	429	412	0.52
41	A"	258	248	0.61
42	A"	117	112	1.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.275	0.000
C2	0.017	0.515	1.215
C3	0.017	0.515	-1.215
C4	0.017	-0.371	2.445
C5	0.017	-0.371	-2.445
H6	-0.779	-0.904	0.000
H7	-0.835	1.218	1.262
H8	0.922	1.132	1.209
H9	-0.835	1.218	-1.262
H10	0.922	1.132	-1.209
H11	0.053	0.228	3.358
H12	-0.888	-0.984	2.489
H13	0.878	-1.042	2.434
H14	0.053	0.228	-3.358
H15	-0.888	-0.984	-2.489
H16	0.878	-1.042	-2.434

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4494	1.4494	2.4470	2.4470	1.0141	2.1325	2.0646	2.1325	2.0646	3.3957	2.7419	2.6929	3.3957	2.7419	2.6929
C2	1.4494		2.4303	1.5154	3.7658	2.0302	1.1055	1.0956	2.7122	2.6604	2.1622	2.1653	2.1561	4.5822	4.0973	4.0593
C3	1.4494	2.4303		3.7658	1.5154	2.0302	2.7122	2.6604	1.1055	1.0956	4.5822	4.0973	4.0593	2.1622	2.1653	2.1561
C4	2.4470	1.5154	3.7658		4.8903	2.6262	2.1559	2.1459	4.1220	4.0536	1.0922	1.0942	1.0917	5.8340	5.0542	4.9995
C5	2.4470	3.7658	1.5154	4.8903		2.6262	4.1220	4.0536	2.1559	2.1459	5.8340	5.0542	4.9995	1.0922	1.0942	1.0917
H6	1.0141	2.0302	2.0302	2.6262	2.6262		2.4688	2.9156	2.4688	2.9156	3.6399	2.4931	2.9475	3.6399	2.4931	2.9475
H7	2.1325	1.1055	2.7122	2.1559	4.1220	2.4688		1.7598	2.5240	3.0333	2.4821	2.5211	3.0678	4.8075	4.3500	4.6581
H8	2.0646	1.0956	2.6604	2.1459	4.0536	2.9156	1.7598		3.0333	2.4185	2.4878	3.0648	2.4956	4.7361	4.6297	4.2426
H9	2.1325	2.7122	1.1055	4.1220	2.1559	2.4688	2.5240	3.0333		1.7598	4.8075	4.3500	4.6581	2.4821	2.5211	3.0678
H10	2.0646	2.6604	1.0956	4.0536	2.1459	2.9156	3.0333	2.4185	1.7598		4.7361	4.6297	4.2426	2.4878	3.0648	2.4956
H11	3.3957	2.1622	4.5822	1.0922	5.8340	3.6399	2.4821	2.4878	4.8075	4.7361		1.7633	1.7739	6.7158	6.0453	5.9863
H12	2.7419	2.1653	4.0973	1.0942	5.0542	2.4931	2.5211	3.0648	4.3500	4.6297	1.7633		1.7678	6.0453	4.9788	5.2306
H13	2.6929	2.1561	4.0593	1.0917	4.9995	2.9475	3.0678	2.4956	4.6581	4.2426	1.7739	1.7678		5.9863	5.2306	4.8675
H14	3.3957	4.5822	2.1622	5.8340	1.0922	3.6399	4.8075	4.7361	2.4821	2.4878	6.7158	6.0453	5.9863		1.7633	1.7739
H15	2.7419	4.0973	2.1653	5.0542	1.0942	2.4931	4.3500	4.6297	2.5211	3.0648	6.0453	4.9788	5.2306	1.7633		1.7678
H16	2.6929	4.0593	2.1561	4.9995	1.0917	2.9475	4.6581	4.2426	3.0678	2.4956	5.9863	5.2306	4.8675	1.7739	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.226	N1	C2	H7	112.468
N1	C2	H8	107.624	N1	C3	C5	111.226
N1	C3	H9	112.468	N1	C3	H10	107.624
C2	N1	C3	113.935	C2	N1	H6	109.734
C2	C4	H11	110.986	C2	C4	H12	111.114
C2	C4	H13	110.531	C3	N1	H6	109.734
C3	C5	H14	110.986	C3	C5	H15	111.114
C3	C5	H16	110.531	C4	C2	H7	109.694
C4	C2	H8	109.489	C5	C3	H8	151.073
C5	C3	H10	109.489	H7	C2	H8	106.161
H9	C3	H10	106.161	H11	C4	H12	107.510
H11	C4	H13	108.641	H12	C4	H13	107.940
H14	C5	H15	107.510	H14	C5	H16	108.641
H15	C5	H16	107.940

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

using model chemistry: HSEh1PBE/TZVP

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	-0.255
2	C	-0.161
3	C	-0.161
4	C	-0.361
5	C	-0.361
6	H	0.187
7	H	0.086
8	H	0.113
9	H	0.086
10	H	0.113
11	H	0.120
12	H	0.109
13	H	0.128
14	H	0.120
15	H	0.109
16	H	0.128

	x	y	z	Total
	-0.801	0.387	0.000	0.890
CHELPG
AIM
ESP

	x	y	z
x	7.774	-0.042	0.000
y	-0.042	8.260	0.000
z	0.000	0.000	10.253

<r²>	186.363
(<r²>)^1/2	13.651

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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