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	hartrees
Energy at 0K	-133.548401
Energy at 298.15K	-133.553824
HF Energy	-133.070088
Nuclear repulsion energy	70.398747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3363	3234
2	A'	3144	3024
3	A'	3114	2995
4	A'	3051	2934
5	A'	1703	1637
6	A'	1528	1469
7	A'	1456	1400
8	A'	1440	1384
9	A'	1308	1258
10	A'	1088	1046
11	A'	929	893
12	A'	495	476
13	A"	3128	3008
14	A"	1518	1460
15	A"	1155	1111
16	A"	1096	1054
17	A"	688	661
18	A"	161	155

Atom	x (Å)	y (Å)	z (Å)
C1	-1.032	-0.614	0.000
C2	0.000	0.484	0.000
N3	1.281	0.368	0.000
H4	-0.556	-1.603	0.000
H5	-1.679	-0.533	0.884
H6	-1.679	-0.533	-0.884
H7	-0.393	1.508	0.000
H8	1.534	-0.633	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5067	2.5128	1.0976	1.0987	1.0987	2.2166	2.5661
C2	1.5067		1.2859	2.1596	2.1529	2.1529	1.0975	1.8973
N3	2.5128	1.2859		2.6944	3.2178	3.2178	2.0252	1.0326
H4	1.0976	2.1596	2.6944		1.7853	1.7853	3.1158	2.3043
H5	1.0987	2.1529	3.2178	1.7853		1.7689	2.5699	3.3338
H6	1.0987	2.1529	3.2178	1.7853	1.7689		2.5699	3.3338
H7	2.2166	1.0975	2.0252	3.1158	2.5699	2.5699		2.8807
H8	2.5661	1.8973	1.0326	2.3043	3.3338	3.3338	2.8807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	128.082	C1	C2	H7	115.783
C2	C1	H4	111.066	C2	C1	H5	110.469
C2	C1	H6	110.469	C2	N3	H8	109.348
N3	C2	H7	116.134	H4	C1	H5	108.753
H4	C1	H6	108.753	H5	C1	H6	107.225

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: MP4=FULL/6-31G*

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/6-31G*

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)