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	hartrees
Energy at 0K	-133.580574
Energy at 298.15K	-133.585984
HF Energy	-133.083235
Nuclear repulsion energy	70.075485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3378	3266
2	A'	3145	3041
3	A'	3096	2994
4	A'	3043	2942
5	A'	1688	1632
6	A'	1470	1422
7	A'	1425	1377
8	A'	1386	1340
9	A'	1277	1234
10	A'	1065	1030
11	A'	912	882
12	A'	477	461
13	A"	3129	3025
14	A"	1465	1416
15	A"	1140	1102
16	A"	1058	1023
17	A"	673	651
18	A"	168	162

Atom	x (Å)	y (Å)	z (Å)
C1	-1.032	-0.622	0.000
C2	0.000	0.487	0.000
N3	1.285	0.375	0.000
H4	-0.549	-1.616	0.000
H5	-1.684	-0.540	0.891
H6	-1.684	-0.540	-0.891
H7	-0.403	1.519	0.000
H8	1.518	-0.636	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5148	2.5227	1.1059	1.1070	1.1070	2.2307	2.5499
C2	1.5148		1.2902	2.1739	2.1647	2.1647	1.1077	1.8878
N3	2.5227	1.2902		2.7075	3.2326	3.2326	2.0397	1.0369
H4	1.1059	2.1739	2.7075		1.8000	1.8000	3.1384	2.2876
H5	1.1070	2.1647	3.2326	1.8000		1.7818	2.5834	3.3249
H6	1.1070	2.1647	3.2326	1.8000	1.7818		2.5834	3.3249
H7	2.2307	1.1077	2.0397	3.1384	2.5834	2.5834		2.8865
H8	2.5499	1.8878	1.0369	2.2876	3.3249	3.3249	2.8865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.971	C1	C2	H7	115.683
C2	C1	H4	111.140	C2	C1	H5	110.348
C2	C1	H6	110.348	C2	N3	H8	107.929
N3	C2	H7	116.347	H4	C1	H5	108.860
H4	C1	H6	108.860	H5	C1	H6	107.181

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: MP4/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: MP4/cc-pVDZ

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)