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	hartrees
Energy at 0K	-133.618560
Energy at 298.15K	-133.623987
HF Energy	-133.092762
Nuclear repulsion energy	70.096990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3378	3280
2	A'	3118	3028
3	A'	3093	3004
4	A'	3018	2931
5	A'	1679	1630
6	A'	1462	1420
7	A'	1419	1378
8	A'	1378	1338
9	A'	1271	1235
10	A'	1062	1031
11	A'	907	881
12	A'	479	466
13	A"	3095	3006
14	A"	1454	1412
15	A"	1121	1089
16	A"	1050	1020
17	A"	673	653
18	A"	179	174

Atom	x (Å)	y (Å)	z (Å)
C1	-1.035	-0.617	0.000
C2	0.000	0.489	0.000
N3	1.285	0.365	0.000
H4	-0.556	-1.612	0.000
H5	-1.685	-0.529	0.890
H6	-1.685	-0.529	-0.890
H7	-0.391	1.521	0.000
H8	1.534	-0.638	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5151	2.5199	1.1040	1.1055	1.1055	2.2328	2.5692
C2	1.5151		1.2911	2.1728	2.1605	2.1605	1.1036	1.9030
N3	2.5199	1.2911		2.7012	3.2269	3.2269	2.0363	1.0330
H4	1.1040	2.1728	2.7012		1.7996	1.7996	3.1367	2.3054
H5	1.1055	2.1605	3.2269	1.7996		1.7808	2.5823	3.3411
H6	1.1055	2.1605	3.2269	1.7996	1.7808		2.5823	3.3411
H7	2.2328	1.1036	2.0363	3.1367	2.5823	2.5823		2.8922
H8	2.5692	1.9030	1.0330	2.3054	3.3411	3.3411	2.8922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.605	C1	C2	H7	116.116
C2	C1	H4	111.144	C2	C1	H5	110.081
C2	C1	H6	110.081	C2	N3	H8	109.428
N3	C2	H7	116.279	H4	C1	H5	109.073
H4	C1	H6	109.073	H5	C1	H6	107.298

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: CCSD(T)=FULL/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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All results from a given calculation for CH3CHNH (ethanimine)

using model chemistry: CCSD(T)=FULL/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)