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	hartrees
Energy at 0K	-133.731897
Energy at 298.15K	-133.737346
HF Energy	-133.126210
Nuclear repulsion energy	70.710926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3401	3288
2	A'	3119	3015
3	A'	3086	2983
4	A'	3025	2925
5	A'	1686	1630
6	A'	1491	1441
7	A'	1426	1378
8	A'	1402	1355
9	A'	1276	1234
10	A'	1070	1034
11	A'	912	881
12	A'	484	468
13	A"	3096	2993
14	A"	1484	1435
15	A"	1130	1093
16	A"	1071	1035
17	A"	684	662
18	A"	180	174

Atom	x (Å)	y (Å)	z (Å)
C1	-1.026	-0.614	0.000
C2	0.000	0.487	0.000
N3	1.273	0.363	0.000
H4	-0.548	-1.596	0.000
H5	-1.670	-0.530	0.880
H6	-1.670	-0.530	-0.880
H7	-0.391	1.507	0.000
H8	1.523	-0.631	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5049	2.4977	1.0922	1.0939	1.0939	2.2137	2.5494
C2	1.5049		1.2791	2.1541	2.1440	2.1440	1.0923	1.8898
N3	2.4977	1.2791		2.6745	3.1985	3.1985	2.0198	1.0248
H4	1.0922	2.1541	2.6745		1.7805	1.7805	3.1069	2.2852
H5	1.0939	2.1440	3.1985	1.7805		1.7610	2.5605	3.3137
H6	1.0939	2.1440	3.1985	1.7805	1.7610		2.5605	3.3137
H7	2.2137	1.0923	2.0198	3.1069	2.5605	2.5605		2.8701
H8	2.5494	1.8898	1.0248	2.2852	3.3137	3.3137	2.8701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.392	C1	C2	H7	116.024
C2	C1	H4	111.081	C2	C1	H5	110.166
C2	C1	H6	110.166	C2	N3	H8	109.727
N3	C2	H7	116.585	H4	C1	H5	109.067
H4	C1	H6	109.067	H5	C1	H6	107.200

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: QCISD(T)/aug-cc-pVTZ

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(T)/aug-cc-pVTZ

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)