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	hartrees
Energy at 0K	-212.343456
Energy at 298.15K	-212.356456
HF Energy	-212.343456
Nuclear repulsion energy	188.799197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3735	3401	0.13
2	A'	3246	2955	82.52
3	A'	3226	2937	120.72
4	A'	3191	2906	37.64
5	A'	3162	2879	23.64
6	A'	3090	2814	185.94
7	A'	1630	1484	1.33
8	A'	1594	1452	3.13
9	A'	1585	1443	11.07
10	A'	1550	1411	1.47
11	A'	1499	1365	0.56
12	A'	1420	1293	5.70
13	A'	1321	1203	2.28
14	A'	1260	1147	18.05
15	A'	1133	1031	6.61
16	A'	958	873	3.22
17	A'	884	805	5.46
18	A'	824	750	70.86
19	A'	450	410	0.36
20	A'	276	252	1.41
21	A'	200	183	0.89
22	A'	120	110	1.55
23	A"	3245	2955	11.54
24	A"	3224	2936	33.64
25	A"	3184	2899	0.98
26	A"	3161	2878	45.31
27	A"	3081	2806	7.59
28	A"	1634	1488	47.13
29	A"	1618	1473	0.38
30	A"	1592	1449	2.11
31	A"	1581	1440	7.22
32	A"	1519	1383	10.97
33	A"	1463	1332	22.61
34	A"	1380	1257	2.39
35	A"	1250	1138	53.90
36	A"	1196	1089	5.77
37	A"	1140	1038	0.57
38	A"	1004	914	0.71
39	A"	857	780	0.49
40	A"	456	415	0.27
41	A"	276	251	0.53
42	A"	113	103	0.88

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.274	0.000
C2	0.017	0.515	1.218
C3	0.017	0.515	-1.218
C4	0.017	-0.372	2.455
C5	0.017	-0.372	-2.455
H6	-0.774	-0.892	0.000
H7	-0.837	1.206	1.262
H8	0.917	1.133	1.216
H9	-0.837	1.206	-1.262
H10	0.917	1.133	-1.216
H11	0.033	0.234	3.361
H12	-0.878	-0.998	2.490
H13	0.888	-1.027	2.458
H14	0.033	0.234	-3.361
H15	-0.878	-0.998	-2.490
H16	0.888	-1.027	-2.458

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4516	1.4516	2.4566	2.4566	1.0035	2.1246	2.0662	2.1246	2.0662	3.3996	2.7427	2.7140	3.3996	2.7427	2.7140
C2	1.4516		2.4360	1.5221	3.7784	2.0221	1.0995	1.0915	2.7126	2.6674	2.1616	2.1696	2.1619	4.5879	4.1033	4.0802
C3	1.4516	2.4360		3.7784	1.5221	2.0221	2.7126	2.6674	1.0995	1.0915	4.5879	4.1033	4.0802	2.1616	2.1696	2.1619
C4	2.4566	1.5221	3.7784		4.9094	2.6308	2.1546	2.1472	4.1273	4.0680	1.0909	1.0926	1.0898	5.8475	5.0634	5.0319
C5	2.4566	3.7784	1.5221	4.9094		2.6308	4.1273	4.0680	2.1546	2.1472	5.8475	5.0634	5.0319	1.0909	1.0926	1.0898
H6	1.0035	2.0221	2.0221	2.6308	2.6308		2.4489	2.9047	2.4489	2.9047	3.6356	2.4940	2.9702	3.6356	2.4940	2.9702
H7	2.1246	1.0995	2.7126	2.1546	4.1273	2.4489		1.7563	2.5243	3.0369	2.4714	2.5227	3.0647	4.8038	4.3512	4.6691
H8	2.0662	1.0915	2.6674	2.1472	4.0680	2.9047	1.7563		3.0369	2.4317	2.4883	3.0635	2.4918	4.7475	4.6360	4.2617
H9	2.1246	2.7126	1.0995	4.1273	2.1546	2.4489	2.5243	3.0369		1.7563	4.8038	4.3512	4.6691	2.4714	2.5227	3.0647
H10	2.0662	2.6674	1.0915	4.0680	2.1472	2.9047	3.0369	2.4317	1.7563		4.7475	4.6360	4.2617	2.4883	3.0635	2.4918
H11	3.3996	2.1616	4.5879	1.0909	5.8475	3.6356	2.4714	2.4883	4.8038	4.7475		1.7629	1.7716	6.7225	6.0482	6.0152
H12	2.7427	2.1696	4.1033	1.0926	5.0634	2.4940	2.5227	3.0635	4.3512	4.6360	1.7629		1.7668	6.0482	4.9792	5.2533
H13	2.7140	2.1619	4.0802	1.0898	5.0319	2.9702	3.0647	2.4918	4.6691	4.2617	1.7716	1.7668		6.0152	5.2533	4.9155
H14	3.3996	4.5879	2.1616	5.8475	1.0909	3.6356	4.8038	4.7475	2.4714	2.4883	6.7225	6.0482	6.0152		1.7629	1.7716
H15	2.7427	4.1033	2.1696	5.0634	1.0926	2.4940	4.3512	4.6360	2.5227	3.0635	6.0482	4.9792	5.2533	1.7629		1.7668
H16	2.7140	4.0802	2.1619	5.0319	1.0898	2.9702	4.6691	4.2617	3.0647	2.4918	6.0152	5.2533	4.9155	1.7716	1.7668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.384	N1	C2	H7	112.042
N1	C2	H8	107.838	N1	C3	C5	111.384
N1	C3	H9	112.042	N1	C3	H10	107.838
C2	N1	C3	114.092	C2	N1	H6	109.555
C2	C4	H11	110.553	C2	C4	H12	111.090
C2	C4	H13	110.641	C3	N1	H6	109.555
C3	C5	H14	110.553	C3	C5	H15	111.090
C3	C5	H16	110.641	C4	C2	H7	109.484
C4	C2	H8	109.373	C5	C3	H8	151.212
C5	C3	H10	109.373	H7	C2	H8	106.563
H9	C3	H10	106.563	H11	C4	H12	107.683
H11	C4	H13	108.663	H12	C4	H13	108.107
H14	C5	H15	107.683	H14	C5	H16	108.663
H15	C5	H16	108.107

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

using model chemistry: HF/aug-cc-pVDZ

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	-0.759
2	C	0.609
3	C	0.609
4	C	0.372
5	C	0.372
6	H	0.005
7	H	-0.181
8	H	-0.234
9	H	-0.181
10	H	-0.234
11	H	-0.067
12	H	-0.096
13	H	-0.026
14	H	-0.067
15	H	-0.096
16	H	-0.026

	x	y	z	Total
	-0.835	0.493	0.000	0.969
CHELPG
AIM
ESP

	x	y	z
x	7.687	-0.041	0.000
y	-0.041	8.278	0.000
z	0.000	0.000	10.188

<r²>	187.384
(<r²>)^1/2	13.689

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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