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	hartrees
Energy at 0K	-133.611910
Energy at 298.15K	-133.617338
HF Energy	-133.108183
Nuclear repulsion energy	70.605585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3443	3285	6.81
2	A'	3139	2995	34.18
3	A'	3107	2964	21.53
4	A'	3048	2908	11.39
5	A'	1731	1652	51.28
6	A'	1504	1435	21.40
7	A'	1454	1388	20.87
8	A'	1419	1354	4.34
9	A'	1303	1243	49.82
10	A'	1082	1033	16.80
11	A'	922	879	2.09
12	A'	489	467	8.83
13	A"	3120	2977	15.83
14	A"	1496	1428	7.98
15	A"	1161	1108	43.82
16	A"	1084	1034	6.13
17	A"	687	656	9.76
18	A"	157	150	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	-1.024	-0.624	0.000
C2	0.000	0.487	0.000
N3	1.272	0.377	0.000
H4	-0.538	-1.607	0.000
H5	-1.668	-0.545	0.884
H6	-1.668	-0.545	-0.884
H7	-0.404	1.505	0.000
H8	1.519	-0.619	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5112	2.5051	1.0956	1.0968	1.0968	2.2181	2.5429
C2	1.5112		1.2769	2.1614	2.1518	2.1518	1.0958	1.8784
N3	2.5051	1.2769		2.6855	3.2060	3.2060	2.0210	1.0253
H4	1.0956	2.1614	2.6855		1.7844	1.7844	3.1147	2.2821
H5	1.0968	2.1518	3.2060	1.7844		1.7686	2.5661	3.3082
H6	1.0968	2.1518	3.2060	1.7844	1.7686		2.5661	3.3082
H7	2.2181	1.0958	2.0210	3.1147	2.5661	2.5661		2.8651
H8	2.5429	1.8784	1.0253	2.2821	3.3082	3.3082	2.8651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.722	C1	C2	H7	115.682
C2	C1	H4	111.020	C2	C1	H5	110.182
C2	C1	H6	110.182	C2	N3	H8	108.856
N3	C2	H7	116.597	H4	C1	H5	108.959
H4	C1	H6	108.959	H5	C1	H6	107.455

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)