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	hartrees
Energy at 0K	-213.647993
Energy at 298.15K	-213.660716
HF Energy	-213.361856
Nuclear repulsion energy	188.598836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3515	3354	0.23
2	A'	3143	2999	47.28
3	A'	3123	2980	69.73
4	A'	3071	2930	51.17
5	A'	3056	2916	12.42
6	A'	2952	2817	178.77
7	A'	1547	1476	1.56
8	A'	1519	1450	3.14
9	A'	1508	1439	13.78
10	A'	1448	1382	3.09
11	A'	1418	1353	1.09
12	A'	1333	1272	4.55
13	A'	1246	1189	1.61
14	A'	1180	1126	13.03
15	A'	1066	1017	6.74
16	A'	912	871	5.93
17	A'	840	801	0.76
18	A'	778	742	83.14
19	A'	427	408	0.24
20	A'	259	247	1.06
21	A'	187	178	0.79
22	A'	111	106	1.38
23	A"	3143	2999	8.64
24	A"	3123	2980	19.40
25	A"	3068	2928	1.85
26	A"	3055	2915	31.29
27	A"	2948	2813	13.92
28	A"	1535	1464	4.23
29	A"	1522	1452	5.93
30	A"	1515	1446	11.32
31	A"	1494	1426	18.63
32	A"	1430	1365	12.10
33	A"	1375	1312	24.11
34	A"	1299	1239	3.91
35	A"	1166	1113	50.03
36	A"	1129	1078	12.54
37	A"	1078	1028	0.70
38	A"	952	908	0.71
39	A"	822	784	0.38
40	A"	431	411	0.44
41	A"	259	247	0.60
42	A"	110	105	1.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.280	0.000
C2	0.017	0.517	1.221
C3	0.017	0.517	-1.221
C4	0.017	-0.372	2.454
C5	0.017	-0.372	-2.454
H6	-0.789	-0.895	0.000
H7	-0.835	1.214	1.265
H8	0.921	1.131	1.212
H9	-0.835	1.214	-1.265
H10	0.921	1.131	-1.212
H11	0.052	0.228	3.364
H12	-0.886	-0.983	2.495
H13	0.878	-1.039	2.442
H14	0.052	0.228	-3.364
H15	-0.886	-0.983	-2.495
H16	0.878	-1.039	-2.442

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4577	1.4577	2.4558	2.4558	1.0146	2.1352	2.0679	2.1352	2.0679	3.4022	2.7453	2.6978	3.4022	2.7453	2.6978
C2	1.4577		2.4410	1.5205	3.7806	2.0337	1.1021	1.0925	2.7184	2.6665	2.1630	2.1662	2.1572	4.5936	4.1078	4.0710
C3	1.4577	2.4410		3.7806	1.5205	2.0337	2.7184	2.6665	1.1021	1.0925	4.5936	4.1078	4.0710	2.1630	2.1662	2.1572
C4	2.4558	1.5205	3.7806		4.9082	2.6358	2.1578	2.1490	4.1318	4.0638	1.0902	1.0918	1.0892	5.8489	5.0681	5.0153
C5	2.4558	3.7806	1.5205	4.9082		2.6358	4.1318	4.0638	2.1578	2.1490	5.8489	5.0681	5.0153	1.0902	1.0918	1.0892
H6	1.0146	2.0337	2.0337	2.6358	2.6358		2.4603	2.9156	2.4603	2.9156	3.6450	2.4986	2.9599	3.6450	2.4986	2.9599
H7	2.1352	1.1021	2.7184	2.1578	4.1318	2.4603		1.7590	2.5296	3.0373	2.4831	2.5190	3.0654	4.8150	4.3553	4.6636
H8	2.0679	1.0925	2.6665	2.1490	4.0638	2.9156	1.7590		3.0373	2.4238	2.4902	3.0633	2.4947	4.7443	4.6346	4.2496
H9	2.1352	2.7184	1.1021	4.1318	2.1578	2.4603	2.5296	3.0373		1.7590	4.8150	4.3553	4.6636	2.4831	2.5190	3.0654
H10	2.0679	2.6665	1.0925	4.0638	2.1490	2.9156	3.0373	2.4238	1.7590		4.7443	4.6346	4.2496	2.4902	3.0633	2.4947
H11	3.4022	2.1630	4.5936	1.0902	5.8489	3.6450	2.4831	2.4902	4.8150	4.7443		1.7614	1.7716	6.7277	6.0561	5.9992
H12	2.7453	2.1662	4.1078	1.0918	5.0681	2.4986	2.5190	3.0633	4.3553	4.6346	1.7614		1.7659	6.0561	4.9903	5.2427
H13	2.6978	2.1572	4.0710	1.0892	5.0153	2.9599	3.0654	2.4947	4.6636	4.2496	1.7716	1.7659		5.9992	5.2427	4.8831
H14	3.4022	4.5936	2.1630	5.8489	1.0902	3.6450	4.8150	4.7443	2.4831	2.4902	6.7277	6.0561	5.9992		1.7614	1.7716
H15	2.7453	4.1078	2.1662	5.0681	1.0918	2.4986	4.3553	4.6346	2.5190	3.0633	6.0561	4.9903	5.2427	1.7614		1.7659
H16	2.6978	4.0710	2.1572	5.0153	1.0892	2.9599	4.6636	4.2496	3.0654	2.4947	5.9992	5.2427	4.8831	1.7716	1.7659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.078	N1	C2	H7	112.301
N1	C2	H8	107.500	N1	C3	C5	111.078
N1	C3	H9	112.301	N1	C3	H10	107.500
C2	N1	C3	113.704	C2	N1	H6	109.377
C2	C4	H11	110.820	C2	C4	H12	110.978
C2	C4	H13	110.417	C3	N1	H6	109.377
C3	C5	H14	110.820	C3	C5	H15	110.978
C3	C5	H16	110.417	C4	C2	H7	109.699
C4	C2	H8	109.567	C5	C3	H8	151.011
C5	C3	H10	109.567	H7	C2	H8	106.545
H9	C3	H10	106.545	H11	C4	H12	107.652
H11	C4	H13	108.752	H12	C4	H13	108.123
H14	C5	H15	107.652	H14	C5	H16	108.752
H15	C5	H16	108.123

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/TZVP

States and conformations

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