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	hartrees
Energy at 0K	-212.699123
Energy at 298.15K	-212.711845
HF Energy	-212.219313
Nuclear repulsion energy	186.217744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3490	3339	1.79
2	A'	3164	3027	50.82
3	A'	3138	3002	70.15
4	A'	3083	2949	54.27
5	A'	3060	2927	13.50
6	A'	2950	2822	172.00
7	A'	1602	1533	0.13
8	A'	1575	1507	2.98
9	A'	1566	1498	12.26
10	A'	1482	1418	4.40
11	A'	1464	1400	0.05
12	A'	1346	1288	2.17
13	A'	1285	1230	3.80
14	A'	1198	1146	9.17
15	A'	1077	1030	3.16
16	A'	922	882	6.49
17	A'	856	819	1.30
18	A'	725	694	114.03
19	A'	429	411	0.45
20	A'	263	252	1.58
21	A'	187	179	1.47
22	A'	103	98	1.93
23	A"	3164	3027	7.38
24	A"	3138	3002	20.67
25	A"	3081	2948	0.70
26	A"	3059	2927	31.47
27	A"	2947	2819	10.49
28	A"	1593	1524	1.57
29	A"	1575	1507	0.65
30	A"	1569	1501	7.72
31	A"	1535	1469	18.48
32	A"	1479	1416	11.07
33	A"	1412	1351	28.68
34	A"	1331	1274	3.73
35	A"	1174	1123	20.53
36	A"	1162	1112	41.70
37	A"	1100	1053	1.35
38	A"	965	923	0.87
39	A"	847	810	0.50
40	A"	433	415	0.63
41	A"	262	251	0.84
42	A"	110	105	1.58

Atom	x (Å)	y (Å)	z (Å)
N1	0.016	-0.265	0.000
C2	0.016	0.533	1.249
C3	0.016	0.533	-1.249
C4	0.016	-0.388	2.481
C5	0.016	-0.388	-2.481
H6	-0.745	-0.949	0.000
H7	-0.843	1.237	1.304
H8	0.928	1.148	1.241
H9	-0.843	1.237	-1.304
H10	0.928	1.148	-1.241
H11	0.066	0.200	3.408
H12	-0.901	-0.995	2.516
H13	0.878	-1.064	2.440
H14	0.066	0.200	-3.408
H15	-0.901	-0.995	-2.516
H16	0.878	-1.064	-2.440

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4820	1.4820	2.4842	2.4842	1.0235	2.1660	2.0905	2.1660	2.0905	3.4402	2.7755	2.7088	3.4402	2.7755	2.7088
C2	1.4820		2.4975	1.5385	3.8420	2.0825	1.1112	1.1004	2.7833	2.7224	2.1856	2.1868	2.1716	4.6692	4.1652	4.1115
C3	1.4820	2.4975		3.8420	1.5385	2.0825	2.7833	2.7224	1.1112	1.1004	4.6692	4.1652	4.1115	2.1856	2.1868	2.1716
C4	2.4842	1.5385	3.8420		4.9624	2.6553	2.1823	2.1746	4.2073	4.1291	1.0989	1.1003	1.0970	5.9189	5.1166	5.0420
C5	2.4842	3.8420	1.5385	4.9624		2.6553	4.2073	4.1291	2.1823	2.1746	5.9189	5.1166	5.0420	1.0989	1.1003	1.0970
H6	1.0235	2.0825	2.0825	2.6553	2.6553		2.5474	2.9565	2.5474	2.9565	3.6873	2.5211	2.9330	3.6873	2.5211	2.9330
H7	2.1660	1.1112	2.7833	2.1823	4.2073	2.5474		1.7741	2.6074	3.1018	2.5160	2.5407	3.0901	4.9096	4.4244	4.7195
H8	2.0905	1.1004	2.7224	2.1746	4.1291	2.9565	1.7741		3.1018	2.4827	2.5173	3.0927	2.5170	4.8229	4.6965	4.2956
H9	2.1660	2.7833	1.1112	4.2073	2.1823	2.5474	2.6074	3.1018		1.7741	4.9096	4.4244	4.7195	2.5160	2.5407	3.0901
H10	2.0905	2.7224	1.1004	4.1291	2.1746	2.9565	3.1018	2.4827	1.7741		4.8229	4.6965	4.2956	2.5173	3.0927	2.5170
H11	3.4402	2.1856	4.6692	1.0989	5.9189	3.6873	2.5160	2.5173	4.9096	4.8229		1.7781	1.7875	6.8165	6.1204	6.0384
H12	2.7755	2.1868	4.1652	1.1003	5.1166	2.5211	2.5407	3.0927	4.4244	4.6965	1.7781		1.7821	6.1204	5.0316	5.2661
H13	2.7088	2.1716	4.1115	1.0970	5.0420	2.9330	3.0901	2.5170	4.7195	4.2956	1.7875	1.7821		6.0384	5.2661	4.8803
H14	3.4402	4.6692	2.1856	5.9189	1.0989	3.6873	4.9096	4.8229	2.5160	2.5173	6.8165	6.1204	6.0384		1.7781	1.7875
H15	2.7755	4.1652	2.1868	5.1166	1.1003	2.5211	4.4244	4.6965	2.5407	3.0927	6.1204	5.0316	5.2661	1.7781		1.7821
H16	2.7088	4.1115	2.1716	5.0420	1.0970	2.9330	4.7195	4.2956	3.0901	2.5170	6.0384	5.2661	4.8803	1.7875	1.7821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.649	N1	C2	H7	112.497
N1	C2	H8	107.175	N1	C3	C5	110.649
N1	C3	H9	112.497	N1	C3	H10	107.175
C2	N1	C3	114.836	C2	N1	H6	111.115
C2	C4	H11	110.829	C2	C4	H12	110.842
C2	C4	H13	109.834	C3	N1	H6	111.115
C3	C5	H14	110.829	C3	C5	H15	110.842
C3	C5	H16	109.834	C4	C2	H7	109.841
C4	C2	H8	109.872	C5	C3	H8	150.218
C5	C3	H10	109.872	H7	C2	H8	106.677
H9	C3	H10	106.677	H11	C4	H12	107.899
H11	C4	H13	108.979	H12	C4	H13	108.389
H14	C5	H15	107.899	H14	C5	H16	108.979
H15	C5	H16	108.389

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

using model chemistry: MP2/6-31G

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

using model chemistry: MP2/6-31G

States and conformations

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