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	hartrees
Energy at 0K	-133.720764
Energy at 298.15K	-133.726207
HF Energy	-133.124084
Nuclear repulsion energy	70.765299

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3405	3319
2	A'	3123	3045
3	A'	3090	3012
4	A'	3031	2955
5	A'	1697	1654
6	A'	1487	1450
7	A'	1433	1397
8	A'	1399	1364
9	A'	1285	1253
10	A'	1071	1044
11	A'	914	891
12	A'	486	474
13	A"	3102	3023
14	A"	1480	1443
15	A"	1140	1111
16	A"	1072	1045
17	A"	689	671
18	A"	173	169

Atom	x (Å)	y (Å)	z (Å)
C1	-1.024	-0.615	0.000
C2	0.000	0.487	0.000
N3	1.272	0.366	0.000
H4	-0.545	-1.596	0.000
H5	-1.668	-0.535	0.879
H6	-1.668	-0.535	-0.879
H7	-0.396	1.505	0.000
H8	1.515	-0.630	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5045	2.4965	1.0915	1.0931	1.0931	2.2111	2.5385
C2	1.5045		1.2778	2.1536	2.1444	2.1444	1.0917	1.8818
N3	2.4965	1.2778		2.6742	3.1978	3.1978	2.0195	1.0243
H4	1.0915	2.1536	2.6742		1.7781	1.7781	3.1046	2.2754
H5	1.0931	2.1444	3.1978	1.7781		1.7590	2.5592	3.3031
H6	1.0931	2.1444	3.1978	1.7781	1.7590		2.5592	3.3031
H7	2.2111	1.0917	2.0195	3.1046	2.5592	2.5592		2.8643
H8	2.5385	1.8818	1.0243	2.2754	3.3031	3.3031	2.8643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.421	C1	C2	H7	115.872
C2	C1	H4	111.114	C2	C1	H5	110.286
C2	C1	H6	110.286	C2	N3	H8	109.165
N3	C2	H7	116.707	H4	C1	H5	108.957
H4	C1	H6	108.957	H5	C1	H6	107.142

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVTZ

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)