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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3405	3326
2	A'	3172	3099
3	A'	3058	2988
4	A'	3042	2971
5	A'	1705	1666
6	A'	1522	1487
7	A'	1462	1428
8	A'	1427	1394
9	A'	1303	1273
10	A'	1083	1058
11	A'	949	927
12	A'	490	478
13	A"	3125	3053
14	A"	1524	1489
15	A"	1125	1099
16	A"	1099	1074
17	A"	688	672
18	A"	182	178

	hartrees
Energy at 0K	-133.610064
Energy at 298.15K	-133.615486
HF Energy	-133.092373
Nuclear repulsion energy	70.011121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3362	3284
2	A'	3144	3071
3	A'	3114	3042
4	A'	3050	2980
5	A'	1699	1660
6	A'	1528	1492
7	A'	1455	1422
8	A'	1439	1405
9	A'	1307	1277
10	A'	1087	1062
11	A'	928	906
12	A'	494	482
13	A"	3127	3055
14	A"	1518	1482
15	A"	1154	1127
16	A"	1095	1070
17	A"	686	670
18	A"	161	157

Atom	x (Å)	y (Å)	z (Å)
C1	-1.037	-0.617	0.000
C2	0.000	0.489	0.000
N3	1.288	0.365	0.000
H4	-0.559	-1.612	0.000
H5	-1.687	-0.528	0.891
H6	-1.687	-0.528	-0.891
H7	-0.391	1.522	0.000
H8	1.534	-0.639	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5161	2.5240	1.1048	1.1063	1.1063	2.2345	2.5718
C2	1.5161		1.2938	2.1741	2.1621	2.1621	1.1048	1.9042
N3	2.5240	1.2938		2.7053	3.2315	3.2315	2.0388	1.0338
H4	1.1048	2.1741	2.7053		1.8010	1.8010	3.1390	2.3080
H5	1.1063	2.1621	3.2315	1.8010		1.7818	2.5842	3.3443
H6	1.1063	2.1621	3.2315	1.8010	1.7818		2.5842	3.3443
H7	2.2345	1.1048	2.0388	3.1390	2.5842	2.5842		2.8942
H8	2.5718	1.9042	1.0338	2.3080	3.3443	3.3443	2.8942

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: MP4/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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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.688	C1	C2	H7	116.105
C2	C1	H4	111.131	C2	C1	H5	110.094
C2	C1	H6	110.094	C2	N3	H8	109.281
N3	C2	H7	116.208	H4	C1	H5	109.077
H4	C1	H6	109.077	H5	C1	H6	107.278

All results from a given calculation for CH3CHNH (ethanimine)

using model chemistry: MP4/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)