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	hartrees
Energy at 0K	-213.172980
Energy at 298.15K	-213.185808
HF Energy	-212.332707
Nuclear repulsion energy	188.930985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3601	3601	0.85
2	A'	3240	3240	44.34
3	A'	3218	3218	63.64
4	A'	3157	3157	54.86
5	A'	3138	3138	11.81
6	A'	3049	3049	144.23
7	A'	1598	1598	0.17
8	A'	1568	1568	2.21
9	A'	1560	1560	9.42
10	A'	1496	1496	2.48
11	A'	1454	1454	0.17
12	A'	1368	1368	4.71
13	A'	1284	1284	1.90
14	A'	1212	1212	13.48
15	A'	1106	1106	5.24
16	A'	938	938	9.62
17	A'	855	855	4.80
18	A'	813	813	71.29
19	A'	438	438	0.36
20	A'	271	271	1.29
21	A'	192	192	0.79
22	A'	115	115	1.41
23	A"	3240	3240	8.94
24	A"	3218	3218	16.58
25	A"	3154	3154	0.68
26	A"	3137	3137	28.06
27	A"	3045	3045	7.60
28	A"	1587	1587	4.59
29	A"	1570	1570	3.26
30	A"	1564	1564	7.99
31	A"	1537	1537	31.18
32	A"	1477	1477	9.17
33	A"	1413	1413	28.05
34	A"	1332	1332	2.66
35	A"	1210	1210	35.51
36	A"	1155	1155	7.89
37	A"	1106	1106	3.29
38	A"	980	980	0.35
39	A"	832	832	0.57
40	A"	438	438	0.55
41	A"	271	271	0.67
42	A"	111	111	1.18

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.288	0.000
C2	0.017	0.518	1.215
C3	0.017	0.518	-1.215
C4	0.017	-0.370	2.449
C5	0.017	-0.370	-2.449
H6	-0.814	-0.869	0.000
H7	-0.829	1.218	1.258
H8	0.922	1.128	1.204
H9	-0.829	1.218	-1.258
H10	0.922	1.128	-1.204
H11	0.058	0.226	3.357
H12	-0.886	-0.978	2.488
H13	0.874	-1.038	2.428
H14	0.058	0.226	-3.357
H15	-0.886	-0.978	-2.488
H16	0.874	-1.038	-2.428

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4583	1.4583	2.4499	2.4499	1.0136	2.1373	2.0672	2.1373	2.0672	3.3966	2.7354	2.6814	3.3966	2.7354	2.6814
C2	1.4583		2.4298	1.5202	3.7696	2.0225	1.0990	1.0907	2.7057	2.6535	2.1624	2.1622	2.1511	4.5815	4.0948	4.0529
C3	1.4583	2.4298		3.7696	1.5202	2.0225	2.7057	2.6535	1.0990	1.0907	4.5815	4.0948	4.0529	2.1624	2.1622	2.1511
C4	2.4499	1.5202	3.7696		4.8970	2.6333	2.1579	2.1471	4.1202	4.0501	1.0876	1.0892	1.0864	5.8363	5.0554	4.9959
C5	2.4499	3.7696	1.5202	4.8970		2.6333	4.1202	4.0501	2.1579	2.1471	5.8363	5.0554	4.9959	1.0876	1.0892	1.0864
H6	1.0136	2.0225	2.0225	2.6333	2.6333		2.4369	2.9065	2.4369	2.9065	3.6371	2.4918	2.9615	3.6371	2.4918	2.9615
H7	2.1373	1.0990	2.7057	2.1579	4.1202	2.4369		1.7538	2.5158	3.0223	2.4852	2.5178	3.0593	4.8029	4.3428	4.6449
H8	2.0672	1.0907	2.6535	2.1471	4.0501	2.9065	1.7538		3.0223	2.4082	2.4890	3.0577	2.4882	4.7291	4.6189	4.2290
H9	2.1373	2.7057	1.0990	4.1202	2.1579	2.4369	2.5158	3.0223		1.7538	4.8029	4.3428	4.6449	2.4852	2.5178	3.0593
H10	2.0672	2.6535	1.0907	4.0501	2.1471	2.9065	3.0223	2.4082	1.7538		4.7291	4.6189	4.2290	2.4890	3.0577	2.4882
H11	3.3966	2.1624	4.5815	1.0876	5.8363	3.6371	2.4852	2.4890	4.8029	4.7291		1.7590	1.7689	6.7142	6.0422	5.9775
H12	2.7354	2.1622	4.0948	1.0892	5.0554	2.4918	2.5178	3.0577	4.3428	4.6189	1.7590		1.7617	6.0422	4.9767	5.2219
H13	2.6814	2.1511	4.0529	1.0864	4.9959	2.9615	3.0593	2.4882	4.6449	4.2290	1.7689	1.7617		5.9775	5.2219	4.8556
H14	3.3966	4.5815	2.1624	5.8363	1.0876	3.6371	4.8029	4.7291	2.4852	2.4890	6.7142	6.0422	5.9775		1.7590	1.7689
H15	2.7354	4.0948	2.1622	5.0554	1.0892	2.4918	4.3428	4.6189	2.5178	3.0577	6.0422	4.9767	5.2219	1.7590		1.7617
H16	2.6814	4.0529	2.1511	4.9959	1.0864	2.9615	4.6449	4.2290	3.0593	2.4882	5.9775	5.2219	4.8556	1.7689	1.7617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.659	N1	C2	H7	112.636
N1	C2	H8	107.506	N1	C3	C5	110.659
N1	C3	H9	112.636	N1	C3	H10	107.506
C2	N1	C3	112.838	C2	N1	H6	108.467
C2	C4	H11	110.944	C2	C4	H12	110.832
C2	C4	H13	110.115	C3	N1	H6	108.467
C3	C5	H14	110.944	C3	C5	H15	110.832
C3	C5	H16	110.115	C4	C2	H7	109.905
C4	C2	H8	109.548	C5	C3	H8	150.925
C5	C3	H10	109.548	H7	C2	H8	106.438
H9	C3	H10	106.438	H11	C4	H12	107.819
H11	C4	H13	108.905	H12	C4	H13	108.139
H14	C5	H15	107.819	H14	C5	H16	108.905
H15	C5	H16	108.139

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G**

States and conformations

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