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	hartrees
Energy at 0K	-213.060468
Energy at 298.15K	-213.073259
HF Energy	-212.312517
Nuclear repulsion energy	188.188197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3494	3307	1.17
2	A'	3172	3003	42.65
3	A'	3150	2981	60.98
4	A'	3096	2930	48.55
5	A'	3076	2911	11.54
6	A'	2988	2828	137.23
7	A'	1584	1499	0.69
8	A'	1553	1470	2.98
9	A'	1544	1462	12.06
10	A'	1483	1404	3.01
11	A'	1443	1365	0.50
12	A'	1357	1284	4.28
13	A'	1279	1210	2.01
14	A'	1204	1140	14.59
15	A'	1101	1042	5.25
16	A'	936	886	13.37
17	A'	853	807	5.90
18	A'	814	771	68.35
19	A'	437	414	0.33
20	A'	268	253	1.42
21	A'	193	183	0.90
22	A'	116	110	1.55
23	A"	3172	3003	7.77
24	A"	3149	2981	16.62
25	A"	3092	2927	0.84
26	A"	3075	2911	27.27
27	A"	2983	2824	6.90
28	A"	1574	1489	4.09
29	A"	1558	1474	7.62
30	A"	1549	1466	8.57
31	A"	1529	1447	23.77
32	A"	1466	1388	13.03
33	A"	1402	1327	22.97
34	A"	1321	1250	3.17
35	A"	1202	1138	36.72
36	A"	1148	1086	7.98
37	A"	1100	1041	4.58
38	A"	975	923	0.19
39	A"	829	785	0.61
40	A"	439	415	0.66
41	A"	268	253	0.70
42	A"	112	106	1.26

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.289	0.000
C2	0.017	0.520	1.218
C3	0.017	0.520	-1.218
C4	0.017	-0.371	2.454
C5	0.017	-0.371	-2.454
H6	-0.822	-0.872	0.000
H7	-0.834	1.226	1.261
H8	0.929	1.133	1.206
H9	-0.834	1.226	-1.261
H10	0.929	1.133	-1.206
H11	0.061	0.229	3.371
H12	-0.893	-0.983	2.497
H13	0.880	-1.046	2.432
H14	0.061	0.229	-3.371
H15	-0.893	-0.983	-2.497
H16	0.880	-1.046	-2.432

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4623	1.4623	2.4556	2.4556	1.0219	2.1474	2.0756	2.1474	2.0756	3.4107	2.7471	2.6889	3.4107	2.7471	2.6889
C2	1.4623		2.4362	1.5239	3.7789	2.0311	1.1074	1.0986	2.7145	2.6616	2.1728	2.1735	2.1607	4.5984	4.1099	4.0642
C3	1.4623	2.4362		3.7789	1.5239	2.0311	2.7145	2.6616	1.1074	1.0986	4.5984	4.1099	4.0642	2.1728	2.1735	2.1607
C4	2.4556	1.5239	3.7789		4.9084	2.6417	2.1687	2.1566	4.1325	4.0611	1.0964	1.0978	1.0949	5.8560	5.0715	5.0073
C5	2.4556	3.7789	1.5239	4.9084		2.6417	4.1325	4.0611	2.1687	2.1566	5.8560	5.0715	5.0073	1.0964	1.0978	1.0949
H6	1.0219	2.0311	2.0311	2.6417	2.6417		2.4478	2.9223	2.4478	2.9223	3.6541	2.5007	2.9733	3.6541	2.5007	2.9733
H7	2.1474	1.1074	2.7145	2.1687	4.1325	2.4478		1.7667	2.5211	3.0337	2.4999	2.5327	3.0778	4.8215	4.3596	4.6621
H8	2.0756	1.0986	2.6616	2.1566	4.0611	2.9223	1.7667		3.0337	2.4125	2.5014	3.0763	2.5003	4.7457	4.6382	4.2409
H9	2.1474	2.7145	1.1074	4.1325	2.1687	2.4478	2.5211	3.0337		1.7667	4.8215	4.3596	4.6621	2.4999	2.5327	3.0778
H10	2.0756	2.6616	1.0986	4.0611	2.1566	2.9223	3.0337	2.4125	1.7667		4.7457	4.6382	4.2409	2.5014	3.0763	2.5003
H11	3.4107	2.1728	4.5984	1.0964	5.8560	3.6541	2.4999	2.5014	4.8215	4.7457		1.7723	1.7823	6.7417	6.0673	5.9973
H12	2.7471	2.1735	4.1099	1.0978	5.0715	2.5007	2.5327	3.0763	4.3596	4.6382	1.7723		1.7750	6.0673	4.9944	5.2386
H13	2.6889	2.1607	4.0642	1.0949	5.0073	2.9733	3.0778	2.5003	4.6621	4.2409	1.7823	1.7750		5.9973	5.2386	4.8639
H14	3.4107	4.5984	2.1728	5.8560	1.0964	3.6541	4.8215	4.7457	2.4999	2.5014	6.7417	6.0673	5.9973		1.7723	1.7823
H15	2.7471	4.1099	2.1735	5.0715	1.0978	2.5007	4.3596	4.6382	2.5327	3.0763	6.0673	4.9944	5.2386	1.7723		1.7750
H16	2.6889	4.0642	2.1607	5.0073	1.0949	2.9733	4.6621	4.2409	3.0778	2.5003	5.9973	5.2386	4.8639	1.7823	1.7750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.617	N1	C2	H7	112.639
N1	C2	H8	107.436	N1	C3	C5	110.617
N1	C3	H9	112.639	N1	C3	H10	107.436
C2	N1	C3	112.818	C2	N1	H6	108.386
C2	C4	H11	110.984	C2	C4	H12	110.955
C2	C4	H13	110.112	C3	N1	H6	108.386
C3	C5	H14	110.984	C3	C5	H15	110.955
C3	C5	H16	110.112	C4	C2	H7	110.002
C4	C2	H8	109.571	C5	C3	H8	150.866
C5	C3	H10	109.571	H7	C2	H8	106.425
H9	C3	H10	106.425	H11	C4	H12	107.746
H11	C4	H13	108.853	H12	C4	H13	108.098
H14	C5	H15	107.746	H14	C5	H16	108.853
H15	C5	H16	108.098

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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