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	hartrees
Energy at 0K	-213.309480
Energy at 298.15K	-213.322290
HF Energy	-212.343721
Nuclear repulsion energy	189.264018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3598	3598	0.18
2	A'	3220	3220	29.80
3	A'	3200	3200	44.90
4	A'	3140	3140	41.39
5	A'	3122	3122	8.49
6	A'	3038	3038	116.39
7	A'	1577	1577	1.42
8	A'	1550	1550	2.08
9	A'	1541	1541	11.12
10	A'	1473	1473	3.07
11	A'	1436	1436	0.64
12	A'	1368	1368	4.25
13	A'	1268	1268	1.77
14	A'	1203	1203	14.82
15	A'	1105	1105	4.71
16	A'	932	932	9.33
17	A'	848	848	2.57
18	A'	800	800	66.47
19	A'	435	435	0.35
20	A'	267	267	1.14
21	A'	189	189	0.91
22	A'	116	116	1.19
23	A"	3220	3220	6.59
24	A"	3200	3200	11.61
25	A"	3138	3138	0.54
26	A"	3121	3121	21.32
27	A"	3035	3035	7.16
28	A"	1568	1568	6.08
29	A"	1553	1553	4.82
30	A"	1546	1546	7.52
31	A"	1522	1522	22.85
32	A"	1451	1451	11.64
33	A"	1397	1397	24.72
34	A"	1326	1326	3.02
35	A"	1215	1215	37.86
36	A"	1146	1146	6.40
37	A"	1098	1098	3.54
38	A"	977	977	0.12
39	A"	826	826	0.58
40	A"	433	433	0.54
41	A"	268	268	0.63
42	A"	115	115	0.98

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.286	0.000
C2	0.017	0.519	1.210
C3	0.017	0.519	-1.210
C4	0.017	-0.371	2.441
C5	0.017	-0.371	-2.441
H6	-0.808	-0.872	0.000
H7	-0.830	1.218	1.252
H8	0.922	1.129	1.201
H9	-0.830	1.218	-1.252
H10	0.922	1.129	-1.201
H11	0.053	0.223	3.352
H12	-0.885	-0.982	2.477
H13	0.876	-1.038	2.423
H14	0.053	0.223	-3.352
H15	-0.885	-0.982	-2.477
H16	0.876	-1.038	-2.423

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4531	1.4531	2.4425	2.4425	1.0116	2.1327	2.0645	2.1327	2.0645	3.3910	2.7267	2.6783	3.3910	2.7267	2.6783
C2	1.4531		2.4194	1.5193	3.7577	2.0194	1.0991	1.0913	2.6957	2.6458	2.1633	2.1620	2.1526	4.5718	4.0818	4.0444
C3	1.4531	2.4194		3.7577	1.5193	2.0194	2.6957	2.6458	1.0991	1.0913	4.5718	4.0818	4.0444	2.1633	2.1620	2.1526
C4	2.4425	1.5193	3.7577		4.8820	2.6248	2.1580	2.1465	4.1089	4.0410	1.0885	1.0902	1.0876	5.8239	5.0375	4.9839
C5	2.4425	3.7577	1.5193	4.8820		2.6248	4.1089	4.0410	2.1580	2.1465	5.8239	5.0375	4.9839	1.0885	1.0902	1.0876
H6	1.0116	2.0194	2.0194	2.6248	2.6248		2.4367	2.9045	2.4367	2.9045	3.6300	2.4809	2.9551	3.6300	2.4809	2.9551
H7	2.1327	1.0991	2.6957	2.1580	4.1089	2.4367		1.7547	2.5042	3.0153	2.4859	2.5194	3.0613	4.7927	4.3307	4.6375
H8	2.0645	1.0913	2.6458	2.1465	4.0410	2.9045	1.7547		3.0153	2.4011	2.4914	3.0581	2.4883	4.7229	4.6096	4.2222
H9	2.1327	2.6957	1.0991	4.1089	2.1580	2.4367	2.5042	3.0153		1.7547	4.7927	4.3307	4.6375	2.4859	2.5194	3.0613
H10	2.0645	2.6458	1.0913	4.0410	2.1465	2.9045	3.0153	2.4011	1.7547		4.7229	4.6096	4.2222	2.4914	3.0581	2.4883
H11	3.3910	2.1633	4.5718	1.0885	5.8239	3.6300	2.4859	2.4914	4.7927	4.7229		1.7600	1.7701	6.7048	6.0263	5.9684
H12	2.7267	2.1620	4.0818	1.0902	5.0375	2.4809	2.5194	3.0581	4.3307	4.6096	1.7600		1.7626	6.0263	4.9544	5.2071
H13	2.6783	2.1526	4.0444	1.0876	4.9839	2.9551	3.0613	2.4883	4.6375	4.2222	1.7701	1.7626		5.9684	5.2071	4.8456
H14	3.3910	4.5718	2.1633	5.8239	1.0885	3.6300	4.7927	4.7229	2.4859	2.4914	6.7048	6.0263	5.9684		1.7600	1.7701
H15	2.7267	4.0818	2.1620	5.0375	1.0902	2.4809	4.3307	4.6096	2.5194	3.0581	6.0263	4.9544	5.2071	1.7600		1.7626
H16	2.6783	4.0444	2.1526	4.9839	1.0876	2.9551	4.6375	4.2222	3.0613	2.4883	5.9684	5.2071	4.8456	1.7701	1.7626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.494	N1	C2	H7	112.623
N1	C2	H8	107.618	N1	C3	C5	110.494
N1	C3	H9	112.623	N1	C3	H10	107.618
C2	N1	C3	112.713	C2	N1	H6	108.712
C2	C4	H11	111.021	C2	C4	H12	110.819
C2	C4	H13	110.224	C3	N1	H6	108.712
C3	C5	H14	111.021	C3	C5	H15	110.819
C3	C5	H16	110.224	C4	C2	H7	109.970
C4	C2	H8	109.525	C5	C3	H8	150.848
C5	C3	H10	109.525	H7	C2	H8	106.471
H9	C3	H10	106.471	H11	C4	H12	107.766
H11	C4	H13	108.856	H12	C4	H13	108.061
H14	C5	H15	107.766	H14	C5	H16	108.856
H15	C5	H16	108.061

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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

using model chemistry: MP3=FULL/6-31G(2df,p)

States and conformations

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