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	hartrees
Energy at 0K	-133.565752
Energy at 298.15K	-133.571188
HF Energy	-133.084206
Nuclear repulsion energy	70.272264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3408	3229	8.49
2	A'	3154	2988	27.09
3	A'	3115	2950	24.91
4	A'	3056	2895	12.23
5	A'	1744	1652	47.15
6	A'	1480	1402	21.18
7	A'	1440	1364	22.29
8	A'	1401	1327	3.44
9	A'	1292	1224	45.69
10	A'	1076	1019	16.21
11	A'	924	875	2.54
12	A'	486	461	7.75
13	A"	3136	2971	13.65
14	A"	1473	1396	7.24
15	A"	1152	1092	43.64
16	A"	1073	1016	5.03
17	A"	686	649	7.95
18	A"	168	159	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	-1.027	-0.624	0.000
C2	0.000	0.487	0.000
N3	1.278	0.377	0.000
H4	-0.542	-1.616	0.000
H5	-1.678	-0.545	0.890
H6	-1.678	-0.545	-0.890
H7	-0.407	1.515	0.000
H8	1.522	-0.628	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5132	2.5130	1.1045	1.1059	1.1059	2.2275	2.5491
C2	1.5132		1.2828	2.1724	2.1621	2.1621	1.1059	1.8870
N3	2.5130	1.2828		2.6993	3.2222	3.2222	2.0337	1.0343
H4	1.1045	2.1724	2.6993		1.7977	1.7977	3.1347	2.2885
H5	1.1059	2.1621	3.2222	1.7977		1.7803	2.5793	3.3230
H6	1.1059	2.1621	3.2222	1.7977	1.7803		2.5793	3.3230
H7	2.2275	1.1059	2.0337	3.1347	2.5793	2.5793		2.8839
H8	2.5491	1.8870	1.0343	2.2885	3.3230	3.3230	2.8839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.811	C1	C2	H7	115.652
C2	C1	H4	111.213	C2	C1	H5	110.312
C2	C1	H6	110.312	C2	N3	H8	108.579
N3	C2	H7	116.537	H4	C1	H5	108.845
H4	C1	H6	108.845	H5	C1	H6	107.209

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: CCSD/cc-pVDZ

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: CCSD/cc-pVDZ

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)