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	hartrees
Energy at 0K	-133.616193
Energy at 298.15K	-133.621656
HF Energy	-133.119762
Nuclear repulsion energy	70.942818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3460	3280	6.45
2	A'	3163	2999	37.21
3	A'	3137	2974	14.94
4	A'	3070	2910	10.59
5	A'	1755	1664	45.21
6	A'	1514	1436	19.83
7	A'	1472	1395	15.09
8	A'	1438	1363	4.06
9	A'	1308	1240	46.01
10	A'	1091	1034	17.78
11	A'	929	880	2.29
12	A'	499	473	10.01
13	A"	3144	2980	14.20
14	A"	1496	1418	8.21
15	A"	1174	1113	44.32
16	A"	1095	1038	6.24
17	A"	690	654	11.50
18	A"	168	160	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	-1.019	-0.621	0.000
C2	0.000	0.486	0.000
N3	1.265	0.373	0.000
H4	-0.536	-1.599	0.000
H5	-1.660	-0.544	0.881
H6	-1.660	-0.544	-0.881
H7	-0.401	1.499	0.000
H8	1.517	-0.617	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5041	2.4908	1.0912	1.0923	1.0923	2.2083	2.5362
C2	1.5041		1.2698	2.1524	2.1428	2.1428	1.0904	1.8759
N3	2.4908	1.2698		2.6706	3.1895	3.1895	2.0109	1.0225
H4	1.0912	2.1524	2.6706		1.7761	1.7761	3.1014	2.2755
H5	1.0923	2.1428	3.1895	1.7761		1.7616	2.5563	3.2981
H6	1.0923	2.1428	3.1895	1.7761	1.7616		2.5563	3.2981
H7	2.2083	1.0904	2.0109	3.1014	2.5563	2.5563		2.8570
H8	2.5362	1.8759	1.0225	2.2755	3.2981	3.2981	2.8570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.576	C1	C2	H7	115.761
C2	C1	H4	111.066	C2	C1	H5	110.230
C2	C1	H6	110.230	C2	N3	H8	109.361
N3	C2	H7	116.663	H4	C1	H5	108.866
H4	C1	H6	108.866	H5	C1	H6	107.495

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)