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	hartrees
Energy at 0K	-133.634667
Energy at 298.15K	-133.640122
HF Energy	-133.090392
Nuclear repulsion energy	70.776430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3473	3290	2.68
2	A'	3173	3006	22.40
3	A'	3138	2973	18.70
4	A'	3078	2916	7.03
5	A'	1744	1652	50.01
6	A'	1512	1433	20.95
7	A'	1453	1376	21.45
8	A'	1427	1352	3.28
9	A'	1300	1231	56.00
10	A'	1082	1025	21.66
11	A'	925	876	2.80
12	A'	493	467	7.74
13	A"	3152	2986	9.60
14	A"	1505	1426	6.62
15	A"	1166	1105	40.12
16	A"	1091	1033	9.68
17	A"	698	661	9.73
18	A"	172	163	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	-1.021	-0.622	0.000
C2	0.000	0.485	0.000
N3	1.269	0.375	0.000
H4	-0.543	-1.604	0.000
H5	-1.667	-0.544	0.880
H6	-1.667	-0.544	-0.880
H7	-0.405	1.500	0.000
H8	1.530	-0.614	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5065	2.4980	1.0923	1.0940	1.0940	2.2096	2.5510
C2	1.5065		1.2735	2.1589	2.1473	2.1473	1.0926	1.8834
N3	2.4980	1.2735		2.6837	3.1994	3.1994	2.0167	1.0228
H4	1.0923	2.1589	2.6837		1.7780	1.7780	3.1072	2.2974
H5	1.0940	2.1473	3.1994	1.7780		1.7596	2.5576	3.3160
H6	1.0940	2.1473	3.1994	1.7780	1.7596		2.5576	3.3160
H7	2.2096	1.0926	2.0167	3.1072	2.5576	2.5576		2.8655
H8	2.5510	1.8834	1.0228	2.2974	3.3160	3.3160	2.8655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.737	C1	C2	H7	115.535
C2	C1	H4	111.355	C2	C1	H5	110.316
C2	C1	H6	110.316	C2	N3	H8	109.726
N3	C2	H7	116.727	H4	C1	H5	108.831
H4	C1	H6	108.831	H5	C1	H6	107.075

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)