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	hartrees
Energy at 0K	-212.314047
Energy at 298.15K	-212.327045
HF Energy	-212.314047
Nuclear repulsion energy	189.180300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3737	3358	0.39
2	A'	3283	2949	81.59
3	A'	3260	2929	120.77
4	A'	3227	2899	43.56
5	A'	3200	2876	23.77
6	A'	3122	2805	185.08
7	A'	1680	1509	0.02
8	A'	1644	1477	2.45
9	A'	1637	1470	8.38
10	A'	1585	1424	2.17
11	A'	1542	1385	0.16
12	A'	1446	1299	5.99
13	A'	1346	1210	2.66
14	A'	1280	1150	20.30
15	A'	1133	1018	5.93
16	A'	973	874	4.80
17	A'	898	807	6.18
18	A'	838	753	85.14
19	A'	453	407	0.56
20	A'	278	250	1.59
21	A'	201	181	0.94
22	A'	122	109	1.78
23	A"	3282	2949	11.19
24	A"	3259	2928	33.94
25	A"	3219	2892	1.68
26	A"	3199	2875	40.89
27	A"	3113	2797	5.70
28	A"	1671	1501	34.20
29	A"	1664	1495	8.06
30	A"	1642	1475	3.45
31	A"	1630	1465	10.68
32	A"	1563	1404	8.86
33	A"	1499	1347	32.95
34	A"	1407	1264	2.80
35	A"	1261	1133	50.91
36	A"	1220	1096	9.33
37	A"	1158	1040	0.46
38	A"	1010	908	0.53
39	A"	872	783	0.47
40	A"	459	412	0.36
41	A"	278	250	0.59
42	A"	117	105	1.18

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.267	0.000
C2	0.017	0.520	1.217
C3	0.017	0.520	-1.217
C4	0.017	-0.378	2.447
C5	0.017	-0.378	-2.447
H6	-0.775	-0.882	0.000
H7	-0.830	1.211	1.267
H8	0.914	1.133	1.219
H9	-0.830	1.211	-1.267
H10	0.914	1.133	-1.219
H11	0.048	0.212	3.358
H12	-0.879	-0.993	2.483
H13	0.876	-1.039	2.433
H14	0.048	0.212	-3.358
H15	-0.879	-0.993	-2.483
H16	0.876	-1.039	-2.433

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4498	1.4498	2.4496	2.4496	1.0027	2.1231	2.0610	2.1231	2.0610	3.3917	2.7375	2.6935	3.3917	2.7375	2.6935
C2	1.4498		2.4349	1.5228	3.7730	2.0188	1.0944	1.0860	2.7141	2.6671	2.1624	2.1663	2.1559	4.5855	4.0968	4.0617
C3	1.4498	2.4349		3.7730	1.5228	2.0188	2.7141	2.6671	1.0944	1.0860	4.5855	4.0968	4.0617	2.1624	2.1663	2.1559
C4	2.4496	1.5228	3.7730		4.8941	2.6208	2.1535	2.1439	4.1275	4.0649	1.0855	1.0871	1.0841	5.8346	5.0481	4.9991
C5	2.4496	3.7730	1.5228	4.8941		2.6208	4.1275	4.0649	2.1535	2.1439	5.8346	5.0481	4.9991	1.0855	1.0871	1.0841
H6	1.0027	2.0188	2.0188	2.6208	2.6208		2.4474	2.8975	2.4474	2.8975	3.6259	2.4875	2.9447	3.6259	2.4875	2.9447
H7	2.1231	1.0944	2.7141	2.1535	4.1275	2.4474		1.7465	2.5334	3.0371	2.4781	2.5178	3.0557	4.8118	4.3496	4.6546
H8	2.0610	1.0860	2.6671	2.1439	4.0649	2.8975	1.7465		3.0371	2.4370	2.4845	3.0545	2.4886	4.7474	4.6294	4.2488
H9	2.1231	2.7141	1.0944	4.1275	2.1535	2.4474	2.5334	3.0371		1.7465	4.8118	4.3496	4.6546	2.4781	2.5178	3.0557
H10	2.0610	2.6671	1.0860	4.0649	2.1439	2.8975	3.0371	2.4370	1.7465		4.7474	4.6294	4.2488	2.4845	3.0545	2.4886
H11	3.3917	2.1624	4.5855	1.0855	5.8346	3.6259	2.4781	2.4845	4.8118	4.7474		1.7538	1.7624	6.7151	6.0349	5.9820
H12	2.7375	2.1663	4.0968	1.0871	5.0481	2.4875	2.5178	3.0545	4.3496	4.6294	1.7538		1.7566	6.0349	4.9656	5.2201
H13	2.6935	2.1559	4.0617	1.0841	4.9991	2.9447	3.0557	2.4886	4.6546	4.2488	1.7624	1.7566		5.9820	5.2201	4.8663
H14	3.3917	4.5855	2.1624	5.8346	1.0855	3.6259	4.8118	4.7474	2.4781	2.4845	6.7151	6.0349	5.9820		1.7538	1.7624
H15	2.7375	4.0968	2.1663	5.0481	1.0871	2.4875	4.3496	4.6294	2.5178	3.0545	6.0349	4.9656	5.2201	1.7538		1.7566
H16	2.6935	4.0617	2.1559	4.9991	1.0841	2.9447	4.6546	4.2488	3.0557	2.4886	5.9820	5.2201	4.8663	1.7624	1.7566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.957	N1	C2	H7	112.375
N1	C2	H8	107.875	N1	C3	C5	110.957
N1	C3	H9	112.375	N1	C3	H10	107.875
C2	N1	C3	114.226	C2	N1	H6	109.454
C2	C4	H11	110.881	C2	C4	H12	111.106
C2	C4	H13	110.447	C3	N1	H6	109.454
C3	C5	H14	110.881	C3	C5	H15	111.106
C3	C5	H16	110.447	C4	C2	H7	109.649
C4	C2	H8	109.382	C5	C3	H8	150.796
C5	C3	H10	109.382	H7	C2	H8	106.453
H9	C3	H10	106.453	H11	C4	H12	107.651
H11	C4	H13	108.640	H12	C4	H13	108.005
H14	C5	H15	107.651	H14	C5	H16	108.640
H15	C5	H16	108.005

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

using model chemistry: HF/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	-0.699
2	C	-0.105
3	C	-0.105
4	C	-0.484
5	C	-0.484
6	H	0.328
7	H	0.129
8	H	0.159
9	H	0.129
10	H	0.159
11	H	0.160
12	H	0.150
13	H	0.176
14	H	0.160
15	H	0.150
16	H	0.176

	x	y	z
x	6.546	0.143	0.000
y	0.143	6.797	0.000
z	0.000	0.000	8.355

<r²>	186.436
(<r²>)^1/2	13.654

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

using model chemistry: HF/6-31G*

States and conformations

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