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	hartrees
Energy at 0K	-132.656172
Energy at 298.15K	-132.661577
HF Energy	-132.318593
Nuclear repulsion energy	69.642650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3184	3117
2	A'	3099	3034
3	A'	3077	3012
4	A'	3019	2955
5	A'	1612	1578
6	A'	1549	1516
7	A'	1457	1426
8	A'	1452	1422
9	A'	1297	1269
10	A'	1080	1057
11	A'	870	851
12	A'	482	471
13	A"	3088	3022
14	A"	1556	1523
15	A"	1161	1136
16	A"	1111	1088
17	A"	695	680
18	A"	153	150

Atom	x (Å)	y (Å)	z (Å)
C1	-1.050	-0.626	0.000
C2	0.000	0.489	0.000
N3	1.294	0.378	0.000
H4	-0.562	-1.612	0.000
H5	-1.692	-0.546	0.891
H6	-1.692	-0.546	-0.891
H7	-0.406	1.506	0.000
H8	1.597	-0.622	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5320	2.5505	1.1003	1.1004	1.1004	2.2274	2.6472
C2	1.5320		1.2986	2.1747	2.1738	2.1738	1.0950	1.9451
N3	2.5505	1.2986		2.7213	3.2497	3.2497	2.0397	1.0451
H4	1.1003	2.1747	2.7213		1.7907	1.7907	3.1218	2.3748
H5	1.1004	2.1738	3.2497	1.7907		1.7813	2.5799	3.4078
H6	1.1004	2.1738	3.2497	1.7907	1.7813		2.5799	3.4078
H7	2.2274	1.0950	2.0397	3.1218	2.5799	2.5799		2.9220
H8	2.6472	1.9451	1.0451	2.3748	3.4078	3.4078	2.9220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	128.412	C1	C2	H7	114.952
C2	C1	H4	110.339	C2	C1	H5	110.263
C2	C1	H6	110.263	C2	N3	H8	111.726
N3	C2	H7	116.637	H4	C1	H5	108.924
H4	C1	H6	108.924	H5	C1	H6	108.075

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: MP4=FULL/3-21G

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

	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 CH3CHNH (ethanimine)

using model chemistry: MP4=FULL/3-21G

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)