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	hartrees
Energy at 0K	-133.788078
Energy at 298.15K	-133.793537
HF Energy	-133.126668
Nuclear repulsion energy	70.938347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3419	3314
2	A'	3122	3027
3	A'	3100	3005
4	A'	3040	2946
5	A'	1685	1633
6	A'	1497	1451
7	A'	1432	1388
8	A'	1408	1365
9	A'	1277	1237
10	A'	1076	1043
11	A'	918	890
12	A'	484	469
13	A"	3102	3007
14	A"	1495	1449
15	A"	1143	1108
16	A"	1076	1043
17	A"	690	669
18	A"	181	176

Atom	x (Å)	y (Å)	z (Å)
C1	-1.024	-0.609	0.000
C2	0.000	0.484	0.000
N3	1.270	0.360	0.000
H4	-0.551	-1.591	0.000
H5	-1.665	-0.523	0.879
H6	-1.665	-0.523	-0.879
H7	-0.388	1.499	0.000
H8	1.520	-0.631	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.4970	2.4903	1.0901	1.0914	1.0914	2.2018	2.5442
C2	1.4970		1.2763	2.1463	2.1354	2.1354	1.0876	1.8851
N3	2.4903	1.2763		2.6688	3.1892	3.1892	2.0122	1.0222
H4	1.0901	2.1463	2.6688		1.7760	1.7760	3.0945	2.2826
H5	1.0914	2.1354	3.1892	1.7760		1.7577	2.5485	3.3064
H6	1.0914	2.1354	3.1892	1.7760	1.7577		2.5485	3.3064
H7	2.2018	1.0876	2.0122	3.0945	2.5485	2.5485		2.8604
H8	2.5442	1.8851	1.0222	2.2826	3.3064	3.3064	2.8604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.598	C1	C2	H7	115.931
C2	C1	H4	111.136	C2	C1	H5	110.181
C2	C1	H6	110.181	C2	N3	H8	109.706
N3	C2	H7	116.471	H4	C1	H5	108.994
H4	C1	H6	108.994	H5	C1	H6	107.261

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: MP4=FULL/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: MP4=FULL/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)