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	hartrees
Energy at 0K	-133.599906
Energy at 298.15K	-133.605356
HF Energy	-133.093636
Nuclear repulsion energy	70.304537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3421	3421	5.40
2	A'	3138	3138	36.66
3	A'	3116	3116	10.76
4	A'	3040	3040	10.11
5	A'	1723	1723	54.96
6	A'	1475	1475	23.62
7	A'	1434	1434	16.63
8	A'	1395	1395	3.27
9	A'	1286	1286	44.86
10	A'	1074	1074	16.78
11	A'	919	919	2.72
12	A'	487	487	8.03
13	A"	3115	3115	12.97
14	A"	1467	1467	7.23
15	A"	1140	1140	45.04
16	A"	1067	1067	6.49
17	A"	685	685	8.83
18	A"	177	177	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-1.030	-0.619	0.000
C2	0.000	0.488	0.000
N3	1.279	0.368	0.000
H4	-0.550	-1.611	0.000
H5	-1.679	-0.534	0.889
H6	-1.679	-0.534	-0.889
H7	-0.395	1.517	0.000
H8	1.534	-0.630	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5125	2.5113	1.1020	1.1037	1.1037	2.2281	2.5639
C2	1.5125		1.2844	2.1704	2.1573	2.1573	1.1016	1.8978
N3	2.5113	1.2844		2.6951	3.2175	3.2175	2.0301	1.0298
H4	1.1020	2.1704	2.6951		1.7958	1.7958	3.1316	2.3035
H5	1.1037	2.1573	3.2175	1.7958		1.7776	2.5771	3.3348
H6	1.1037	2.1573	3.2175	1.7958	1.7776		2.5771	3.3348
H7	2.2281	1.1016	2.0301	3.1316	2.5771	2.5771		2.8856
H8	2.5639	1.8978	1.0298	2.3035	3.3348	3.3348	2.8856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.567	C1	C2	H7	116.039
C2	C1	H4	111.251	C2	C1	H5	110.106
C2	C1	H6	110.106	C2	N3	H8	109.692
N3	C2	H7	116.393	H4	C1	H5	109.006
H4	C1	H6	109.006	H5	C1	H6	107.270

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: CCSD=FULL/aug-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=FULL/aug-cc-pVDZ

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)