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	hartrees
Energy at 0K	-213.207492
Energy at 298.15K	-213.220242
HF Energy	-212.343324
Nuclear repulsion energy	188.961060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3554	3357	0.26
2	A'	3215	3037	24.34
3	A'	3195	3018	37.52
4	A'	3127	2953	39.93
5	A'	3106	2934	7.64
6	A'	3017	2850	116.47
7	A'	1557	1471	1.28
8	A'	1531	1446	2.01
9	A'	1521	1437	11.60
10	A'	1444	1364	3.67
11	A'	1412	1334	0.48
12	A'	1341	1267	4.04
13	A'	1252	1183	1.57
14	A'	1182	1117	12.74
15	A'	1090	1029	5.00
16	A'	922	870	11.17
17	A'	835	789	1.68
18	A'	793	749	65.30
19	A'	429	405	0.28
20	A'	266	251	1.07
21	A'	185	175	0.90
22	A'	116	109	1.12
23	A"	3215	3037	5.48
24	A"	3195	3018	9.71
25	A"	3126	2952	0.50
26	A"	3106	2934	20.93
27	A"	3015	2848	8.92
28	A"	1546	1460	3.31
29	A"	1529	1444	0.15
30	A"	1526	1441	8.10
31	A"	1487	1404	24.62
32	A"	1426	1347	10.89
33	A"	1369	1293	26.67
34	A"	1300	1228	3.04
35	A"	1192	1126	40.83
36	A"	1128	1065	6.96
37	A"	1083	1022	5.03
38	A"	963	910	0.05
39	A"	815	770	0.54
40	A"	425	402	0.58
41	A"	267	252	0.68
42	A"	114	108	1.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.289	0.000
C2	0.017	0.521	1.211
C3	0.017	0.521	-1.211
C4	0.017	-0.372	2.443
C5	0.017	-0.372	-2.443
H6	-0.819	-0.867	0.000
H7	-0.830	1.225	1.255
H8	0.926	1.130	1.198
H9	-0.830	1.225	-1.255
H10	0.926	1.130	-1.198
H11	0.058	0.221	3.357
H12	-0.889	-0.981	2.481
H13	0.875	-1.043	2.419
H14	0.058	0.221	-3.357
H15	-0.889	-0.981	-2.481
H16	0.875	-1.043	-2.419

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4566	1.4566	2.4440	2.4440	1.0162	2.1407	2.0675	2.1407	2.0675	3.3962	2.7300	2.6755	3.3962	2.7300	2.6755
C2	1.4566		2.4221	1.5208	3.7610	2.0223	1.1026	1.0943	2.7005	2.6459	2.1675	2.1649	2.1545	4.5784	4.0869	4.0449
C3	1.4566	2.4221		3.7610	1.5208	2.0223	2.7005	2.6459	1.1026	1.0943	4.5784	4.0869	4.0449	2.1675	2.1649	2.1545
C4	2.4440	1.5208	3.7610		4.8853	2.6287	2.1628	2.1518	4.1153	4.0418	1.0909	1.0924	1.0899	5.8304	5.0428	4.9825
C5	2.4440	3.7610	1.5208	4.8853		2.6287	4.1153	4.0418	2.1628	2.1518	5.8304	5.0428	4.9825	1.0909	1.0924	1.0899
H6	1.0162	2.0223	2.0223	2.6287	2.6287		2.4387	2.9097	2.4387	2.9097	3.6364	2.4842	2.9587	3.6364	2.4842	2.9587
H7	2.1407	1.1026	2.7005	2.1628	4.1153	2.4387		1.7595	2.5091	3.0179	2.4932	2.5241	3.0673	4.8025	4.3381	4.6421
H8	2.0675	1.0943	2.6459	2.1518	4.0418	2.9097	1.7595		3.0179	2.3961	2.4986	3.0651	2.4936	4.7257	4.6132	4.2204
H9	2.1407	2.7005	1.1026	4.1153	2.1628	2.4387	2.5091	3.0179		1.7595	4.8025	4.3381	4.6421	2.4932	2.5241	3.0673
H10	2.0675	2.6459	1.0943	4.0418	2.1518	2.9097	3.0179	2.3961	1.7595		4.7257	4.6132	4.2204	2.4986	3.0651	2.4936
H11	3.3962	2.1675	4.5784	1.0909	5.8304	3.6364	2.4932	2.4986	4.8025	4.7257		1.7634	1.7744	6.7148	6.0351	5.9698
H12	2.7300	2.1649	4.0869	1.0924	5.0428	2.4842	2.5241	3.0651	4.3381	4.6132	1.7634		1.7662	6.0351	4.9612	5.2081
H13	2.6755	2.1545	4.0449	1.0899	4.9825	2.9587	3.0673	2.4936	4.6421	4.2204	1.7744	1.7662		5.9698	5.2081	4.8386
H14	3.3962	4.5784	2.1675	5.8304	1.0909	3.6364	4.8025	4.7257	2.4932	2.4986	6.7148	6.0351	5.9698		1.7634	1.7744
H15	2.7300	4.0869	2.1649	5.0428	1.0924	2.4842	4.3381	4.6132	2.5241	3.0651	6.0351	4.9612	5.2081	1.7634		1.7662
H16	2.6755	4.0449	2.1545	4.9825	1.0899	2.9587	4.6421	4.2204	3.0673	2.4936	5.9698	5.2081	4.8386	1.7744	1.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.322	N1	C2	H7	112.810
N1	C2	H8	107.439	N1	C3	C5	110.322
N1	C3	H9	112.810	N1	C3	H10	107.439
C2	N1	C3	112.485	C2	N1	H6	108.416
C2	C4	H11	111.107	C2	C4	H12	110.810
C2	C4	H13	110.130	C3	N1	H6	108.416
C3	C5	H14	111.107	C3	C5	H15	110.810
C3	C5	H16	110.130	C4	C2	H7	110.040
C4	C2	H8	109.659	C5	C3	H8	150.750
C5	C3	H10	109.659	H7	C2	H8	106.433
H9	C3	H10	106.433	H11	C4	H12	107.733
H11	C4	H13	108.905	H12	C4	H13	108.062
H14	C5	H15	107.733	H14	C5	H16	108.905
H15	C5	H16	108.062

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

using model chemistry: MP2/6-31G(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: MP2/6-31G(2df,p)

States and conformations

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