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	hartrees
Energy at 0K	-213.008834
Energy at 298.15K	-213.021728
HF Energy	-212.354817
Nuclear repulsion energy	189.206698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3653	3380	0.57
2	A'	3225	2984	58.89
3	A'	3204	2965	92.96
4	A'	3164	2927	43.06
5	A'	3135	2901	18.05
6	A'	3055	2827	174.01
7	A'	1611	1491	2.17
8	A'	1579	1461	3.95
9	A'	1570	1453	15.76
10	A'	1515	1402	3.21
11	A'	1474	1364	1.67
12	A'	1396	1292	5.59
13	A'	1301	1204	1.77
14	A'	1232	1140	18.25
15	A'	1120	1036	7.27
16	A'	948	877	7.47
17	A'	869	804	10.75
18	A'	821	759	69.33
19	A'	445	411	0.41
20	A'	273	252	1.22
21	A'	196	181	0.80
22	A'	118	109	1.69
23	A"	3225	2984	11.52
24	A"	3203	2964	21.95
25	A"	3159	2923	0.84
26	A"	3134	2900	35.63
27	A"	3049	2821	7.12
28	A"	1603	1483	28.19
29	A"	1598	1479	2.64
30	A"	1575	1458	8.30
31	A"	1564	1447	10.26
32	A"	1494	1382	16.89
33	A"	1436	1329	20.17
34	A"	1353	1252	3.77
35	A"	1232	1140	47.27
36	A"	1173	1086	6.43
37	A"	1122	1038	2.54
38	A"	991	917	0.30
39	A"	840	777	0.43
40	A"	447	413	0.59
41	A"	273	252	0.70
42	A"	108	100	1.31

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.283	0.000
C2	0.017	0.517	1.212
C3	0.017	0.517	-1.212
C4	0.017	-0.370	2.446
C5	0.017	-0.370	-2.446
H6	-0.797	-0.876	0.000
H7	-0.833	1.212	1.253
H8	0.918	1.130	1.205
H9	-0.833	1.212	-1.253
H10	0.918	1.130	-1.205
H11	0.066	0.225	3.355
H12	-0.888	-0.974	2.495
H13	0.870	-1.044	2.423
H14	0.066	0.225	-3.355
H15	-0.888	-0.974	-2.495
H16	0.870	-1.044	-2.423

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4521	1.4521	2.4471	2.4471	1.0075	2.1276	2.0639	2.1276	2.0639	3.3936	2.7433	2.6795	3.3936	2.7433	2.6795
C2	1.4521		2.4248	1.5189	3.7639	2.0180	1.0988	1.0900	2.6992	2.6519	2.1630	2.1655	2.1516	4.5770	4.0976	4.0475
C3	1.4521	2.4248		3.7639	1.5189	2.0180	2.6992	2.6519	1.0988	1.0900	4.5770	4.0976	4.0475	2.1630	2.1655	2.1516
C4	2.4471	1.5189	3.7639		4.8911	2.6267	2.1555	2.1451	4.1119	4.0485	1.0882	1.0898	1.0869	5.8313	5.0594	4.9887
C5	2.4471	3.7639	1.5189	4.8911		2.6267	4.1119	4.0485	2.1555	2.1451	5.8313	5.0594	4.9887	1.0882	1.0898	1.0869
H6	1.0075	2.0180	2.0180	2.6267	2.6267		2.4355	2.9015	2.4355	2.9015	3.6351	2.4989	2.9460	3.6351	2.4989	2.9460
H7	2.1276	1.0988	2.6992	2.1555	4.1119	2.4355		1.7533	2.5069	3.0193	2.4897	2.5150	3.0589	4.7979	4.3400	4.6376
H8	2.0639	1.0900	2.6519	2.1451	4.0485	2.9015	1.7533		3.0193	2.4103	2.4834	3.0590	2.4929	4.7266	4.6245	4.2305
H9	2.1276	2.6992	1.0988	4.1119	2.1555	2.4355	2.5069	3.0193		1.7533	4.7979	4.3400	4.6376	2.4897	2.5150	3.0589
H10	2.0639	2.6519	1.0900	4.0485	2.1451	2.9015	3.0193	2.4103	1.7533		4.7266	4.6245	4.2305	2.4834	3.0590	2.4929
H11	3.3936	2.1630	4.5770	1.0882	5.8313	3.6351	2.4897	2.4834	4.7979	4.7266		1.7577	1.7678	6.7102	6.0479	5.9706
H12	2.7433	2.1655	4.0976	1.0898	5.0594	2.4989	2.5150	3.0590	4.3400	4.6245	1.7577		1.7609	6.0479	4.9907	5.2240
H13	2.6795	2.1516	4.0475	1.0869	4.9887	2.9460	3.0589	2.4929	4.6376	4.2305	1.7678	1.7609		5.9706	5.2240	4.8468
H14	3.3936	4.5770	2.1630	5.8313	1.0882	3.6351	4.7979	4.7266	2.4897	2.4834	6.7102	6.0479	5.9706		1.7577	1.7678
H15	2.7433	4.0976	2.1655	5.0594	1.0898	2.4989	4.3400	4.6245	2.5150	3.0590	6.0479	4.9907	5.2240	1.7577		1.7609
H16	2.6795	4.0475	2.1516	4.9887	1.0869	2.9460	4.6376	4.2305	3.0589	2.4929	5.9706	5.2240	4.8468	1.7678	1.7609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.883	N1	C2	H7	112.299
N1	C2	H8	107.713	N1	C3	C5	110.883
N1	C3	H9	112.299	N1	C3	H10	107.713
C2	N1	C3	113.212	C2	N1	H6	108.917
C2	C4	H11	111.047	C2	C4	H12	111.148
C2	C4	H13	110.215	C3	N1	H6	108.917
C3	C5	H14	111.047	C3	C5	H15	111.148
C3	C5	H16	110.215	C4	C2	H7	109.823
C4	C2	H8	109.516	C5	C3	H8	151.068
C5	C3	H10	109.516	H7	C2	H8	106.459
H9	C3	H10	106.459	H11	C4	H12	107.608
H11	C4	H13	108.724	H12	C4	H13	107.992
H14	C5	H15	107.608	H14	C5	H16	108.724
H15	C5	H16	107.992

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

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

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