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	hartrees
Energy at 0K	-133.581601
Energy at 298.15K	-133.587012
HF Energy	-133.083366
Nuclear repulsion energy	70.095320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3371	3299
2	A'	3138	3072
3	A'	3095	3029
4	A'	3038	2973
5	A'	1702	1666
6	A'	1470	1439
7	A'	1427	1396
8	A'	1386	1357
9	A'	1280	1253
10	A'	1066	1043
11	A'	913	894
12	A'	479	469
13	A"	3120	3054
14	A"	1463	1432
15	A"	1135	1111
16	A"	1058	1036
17	A"	673	659
18	A"	167	164

Atom	x (Å)	y (Å)	z (Å)
C1	-1.031	-0.622	0.000
C2	0.000	0.488	0.000
N3	1.284	0.375	0.000
H4	-0.547	-1.617	0.000
H5	-1.683	-0.542	0.891
H6	-1.683	-0.542	-0.891
H7	-0.404	1.519	0.000
H8	1.518	-0.636	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5153	2.5206	1.1060	1.1073	1.1073	2.2317	2.5489
C2	1.5153		1.2889	2.1745	2.1652	2.1652	1.1075	1.8885
N3	2.5206	1.2889		2.7048	3.2308	3.2308	2.0392	1.0371
H4	1.1060	2.1745	2.7048		1.8005	1.8005	3.1392	2.2856
H5	1.1073	2.1652	3.2308	1.8005		1.7826	2.5844	3.3241
H6	1.1073	2.1652	3.2308	1.8005	1.7826		2.5844	3.3241
H7	2.2317	1.1075	2.0392	3.1392	2.5844	2.5844		2.8873
H8	2.5489	1.8885	1.0371	2.2856	3.3241	3.3241	2.8873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.836	C1	C2	H7	115.738
C2	C1	H4	111.138	C2	C1	H5	110.325
C2	C1	H6	110.325	C2	N3	H8	108.078
N3	C2	H7	116.425	H4	C1	H5	108.871
H4	C1	H6	108.871	H5	C1	H6	107.208

All results from a given calculation for CH₃CHNH (ethanimine)

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

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)