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	hartrees
Energy at 0K	-213.180266
Energy at 298.15K	-213.192966
HF Energy	-212.329740
Nuclear repulsion energy	187.277973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3461	3387
2	A'	3141	3075
3	A'	3120	3054
4	A'	3058	2993
5	A'	3040	2976
6	A'	2944	2881
7	A'	1518	1486
8	A'	1489	1458
9	A'	1479	1448
10	A'	1430	1399
11	A'	1385	1355
12	A'	1319	1291
13	A'	1237	1210
14	A'	1165	1140
15	A'	1077	1054
16	A'	916	896
17	A'	826	808
18	A'	806	789
19	A'	427	418
20	A'	266	260
21	A'	184	180
22	A'	111	109
23	A"	3141	3075
24	A"	3120	3054
25	A"	3055	2990
26	A"	3040	2975
27	A"	2939	2876
28	A"	1509	1477
29	A"	1497	1465
30	A"	1486	1455
31	A"	1471	1440
32	A"	1404	1375
33	A"	1350	1321
34	A"	1277	1250
35	A"	1174	1149
36	A"	1108	1084
37	A"	1068	1045
38	A"	951	931
39	A"	802	785
40	A"	422	413
41	A"	265	259
42	A"	106	104

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	-0.297	0.000
C2	0.018	0.521	1.219
C3	0.018	0.521	-1.219
C4	0.018	-0.371	2.463
C5	0.018	-0.371	-2.463
H6	-0.848	-0.851	0.000
H7	-0.841	1.235	1.263
H8	0.938	1.141	1.205
H9	-0.841	1.235	-1.263
H10	0.938	1.141	-1.205
H11	0.072	0.235	3.386
H12	-0.907	-0.980	2.511
H13	0.881	-1.062	2.435
H14	0.072	0.235	-3.386
H15	-0.907	-0.980	-2.511
H16	0.881	-1.062	-2.435

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4679	1.4679	2.4638	2.4638	1.0281	2.1636	2.0895	2.1636	2.0895	3.4284	2.7615	2.6942	3.4284	2.7615	2.6942
C2	1.4679		2.4371	1.5312	3.7878	2.0293	1.1183	1.1091	2.7211	2.6654	2.1874	2.1859	2.1750	4.6142	4.1251	4.0743
C3	1.4679	2.4371		3.7878	1.5312	2.0293	2.7211	2.6654	1.1183	1.1091	4.6142	4.1251	4.0743	2.1874	2.1859	2.1750
C4	2.4638	1.5312	3.7878		4.9253	2.6542	2.1818	2.1711	4.1470	4.0725	1.1062	1.1082	1.1053	5.8806	5.0952	5.0209
C5	2.4638	3.7878	1.5312	4.9253		2.6542	4.1470	4.0725	2.1818	2.1711	5.8806	5.0952	5.0209	1.1062	1.1082	1.1053
H6	1.0281	2.0293	2.0293	2.6542	2.6542		2.4386	2.9342	2.4386	2.9342	3.6732	2.5148	2.9938	3.6732	2.5148	2.9938
H7	2.1636	1.1183	2.7211	2.1818	4.1470	2.4386		1.7829	2.5252	3.0439	2.5190	2.5432	3.1013	4.8424	4.3759	4.6815
H8	2.0895	1.1091	2.6654	2.1711	4.0725	2.9342	1.7829		3.0439	2.4103	2.5158	3.0991	2.5235	4.7596	4.6592	4.2552
H9	2.1636	2.7211	1.1183	4.1470	2.1818	2.4386	2.5252	3.0439		1.7829	4.8424	4.3759	4.6815	2.5190	2.5432	3.1013
H10	2.0895	2.6654	1.1091	4.0725	2.1711	2.9342	3.0439	2.4103	1.7829		4.7596	4.6592	4.2552	2.5158	3.0991	2.5235
H11	3.4284	2.1874	4.6142	1.1062	5.8806	3.6732	2.5190	2.5158	4.8424	4.7596		1.7886	1.8003	6.7729	6.1000	6.0188
H12	2.7615	2.1859	4.1251	1.1082	5.0952	2.5148	2.5432	3.0991	4.3759	4.6592	1.7886		1.7912	6.1000	5.0217	5.2598
H13	2.6942	2.1750	4.0743	1.1053	5.0209	2.9938	3.1013	2.5235	4.6815	4.2552	1.8003	1.7912		6.0188	5.2598	4.8702
H14	3.4284	4.6142	2.1874	5.8806	1.1062	3.6732	4.8424	4.7596	2.5190	2.5158	6.7729	6.1000	6.0188		1.7886	1.8003
H15	2.7615	4.1251	2.1859	5.0952	1.1082	2.5148	4.3759	4.6592	2.5432	3.0991	6.1000	5.0217	5.2598	1.7886		1.7912
H16	2.6942	4.0743	2.1750	5.0209	1.1053	2.9938	4.6815	4.2552	3.1013	2.5235	6.0188	5.2598	4.8702	1.8003	1.7912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.457	N1	C2	H7	112.872
N1	C2	H8	107.541	N1	C3	C5	110.457
N1	C3	H9	112.872	N1	C3	H10	107.541
C2	N1	C3	112.229	C2	N1	H6	107.481
C2	C4	H11	111.049	C2	C4	H12	110.811
C2	C4	H13	110.121	C3	N1	H6	107.481
C3	C5	H14	111.049	C3	C5	H15	110.811
C3	C5	H16	110.121	C4	C2	H7	109.888
C4	C2	H8	109.595	C5	C3	H8	150.965
C5	C3	H10	109.595	H7	C2	H8	106.342
H9	C3	H10	106.342	H11	C4	H12	107.748
H11	C4	H13	108.986	H12	C4	H13	108.035
H14	C5	H15	107.748	H14	C5	H16	108.986
H15	C5	H16	108.035

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

using model chemistry: CCSD(T)/cc-pVDZ

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: CCSD(T)/cc-pVDZ

States and conformations

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