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	hartrees
Energy at 0K	-213.236749
Energy at 298.15K	-213.249497
HF Energy	-212.387536
Nuclear repulsion energy	188.791351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3574	3342	0.18
2	A'	3180	2974	46.54
3	A'	3161	2956	72.29
4	A'	3111	2910	45.43
5	A'	3087	2887	14.14
6	A'	3005	2810	157.38
7	A'	1562	1461	0.92
8	A'	1532	1432	3.30
9	A'	1518	1420	11.27
10	A'	1473	1378	2.23
11	A'	1433	1340	0.89
12	A'	1351	1263	6.19
13	A'	1265	1183	1.22
14	A'	1200	1122	14.10
15	A'	1090	1020	6.09
16	A'	927	867	8.75
17	A'	849	794	7.62
18	A'	808	755	68.16
19	A'	434	405	0.31
20	A'	258	241	1.18
21	A'	189	176	0.62
22	A'	112	104	1.48
23	A"	3180	2974	10.22
24	A"	3160	2956	17.93
25	A"	3109	2907	0.86
26	A"	3087	2887	30.53
27	A"	3002	2807	8.59
28	A"	1550	1450	12.10
29	A"	1538	1438	13.11
30	A"	1528	1429	10.50
31	A"	1512	1414	12.36
32	A"	1448	1354	10.49
33	A"	1393	1303	20.05
34	A"	1310	1225	2.62
35	A"	1197	1119	41.53
36	A"	1142	1068	8.11
37	A"	1090	1019	0.93
38	A"	965	902	0.66
39	A"	826	773	0.42
40	A"	433	405	0.46
41	A"	257	240	0.54
42	A"	97	91	1.12

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.288	0.000
C2	0.017	0.516	1.215
C3	0.017	0.516	-1.215
C4	0.017	-0.368	2.452
C5	0.017	-0.368	-2.452
H6	-0.801	-0.885	0.000
H7	-0.836	1.210	1.253
H8	0.922	1.128	1.203
H9	-0.836	1.210	-1.253
H10	0.922	1.128	-1.203
H11	0.056	0.236	3.359
H12	-0.888	-0.977	2.494
H13	0.877	-1.037	2.437
H14	0.056	0.236	-3.359
H15	-0.888	-0.977	-2.494
H16	0.877	-1.037	-2.437

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4570	1.4570	2.4538	2.4538	1.0127	2.1318	2.0667	2.1318	2.0667	3.3999	2.7416	2.6902	3.3999	2.7416	2.6902
C2	1.4570		2.4294	1.5213	3.7723	2.0268	1.1008	1.0923	2.7020	2.6527	2.1628	2.1649	2.1550	4.5824	4.0996	4.0600
C3	1.4570	2.4294		3.7723	1.5213	2.0268	2.7020	2.6527	1.1008	1.0923	4.5824	4.0996	4.0600	2.1628	2.1649	2.1550
C4	2.4538	1.5213	3.7723		4.9049	2.6365	2.1583	2.1493	4.1173	4.0519	1.0902	1.0919	1.0892	5.8429	5.0658	5.0090
C5	2.4538	3.7723	1.5213	4.9049		2.6365	4.1173	4.0519	2.1583	2.1493	5.8429	5.0658	5.0090	1.0902	1.0919	1.0892
H6	1.0127	2.0268	2.0268	2.6365	2.6365		2.4413	2.9099	2.4413	2.9099	3.6433	2.4976	2.9627	3.6433	2.4976	2.9627
H7	2.1318	1.1008	2.7020	2.1583	4.1173	2.4413		1.7611	2.5064	3.0216	2.4859	2.5151	3.0635	4.7976	4.3393	4.6476
H8	2.0667	1.0923	2.6527	2.1493	4.0519	2.9099	1.7611		3.0216	2.4055	2.4890	3.0621	2.4922	4.7281	4.6235	4.2348
H9	2.1318	2.7020	1.1008	4.1173	2.1583	2.4413	2.5064	3.0216		1.7611	4.7976	4.3393	4.6476	2.4859	2.5151	3.0635
H10	2.0667	2.6527	1.0923	4.0519	2.1493	2.9099	3.0216	2.4055	1.7611		4.7281	4.6235	4.2348	2.4890	3.0621	2.4922
H11	3.3999	2.1628	4.5824	1.0902	5.8429	3.6433	2.4859	2.4890	4.7976	4.7281		1.7636	1.7733	6.7180	6.0518	5.9903
H12	2.7416	2.1649	4.0996	1.0919	5.0658	2.4976	2.5151	3.0621	4.3393	4.6235	1.7636		1.7675	6.0518	4.9888	5.2380
H13	2.6902	2.1550	4.0600	1.0892	5.0090	2.9627	3.0635	2.4922	4.6476	4.2348	1.7733	1.7675		5.9903	5.2380	4.8735
H14	3.3999	4.5824	2.1628	5.8429	1.0902	3.6433	4.7976	4.7281	2.4859	2.4890	6.7180	6.0518	5.9903		1.7636	1.7733
H15	2.7416	4.0996	2.1649	5.0658	1.0919	2.4976	4.3393	4.6235	2.5151	3.0621	6.0518	4.9888	5.2380	1.7636		1.7675
H16	2.6902	4.0600	2.1550	5.0090	1.0892	2.9627	4.6476	4.2348	3.0635	2.4922	5.9903	5.2380	4.8735	1.7733	1.7675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.936	N1	C2	H7	112.162
N1	C2	H8	107.469	N1	C3	C5	110.936
N1	C3	H9	112.162	N1	C3	H10	107.469
C2	N1	C3	112.967	C2	N1	H6	108.976
C2	C4	H11	110.750	C2	C4	H12	110.808
C2	C4	H13	110.182	C3	N1	H6	108.976
C3	C5	H14	110.750	C3	C5	H15	110.808
C3	C5	H16	110.182	C4	C2	H7	109.759
C4	C2	H8	109.549	C5	C3	H8	151.112
C5	C3	H10	109.549	H7	C2	H8	106.832
H9	C3	H10	106.832	H11	C4	H12	107.845
H11	C4	H13	108.912	H12	C4	H13	108.265
H14	C5	H15	107.845	H14	C5	H16	108.912
H15	C5	H16	108.265

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

using model chemistry: MP3/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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All results from a given calculation for NH(C2H5)2 (diethylamine)

using model chemistry: MP3/TZVP

States and conformations

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