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	hartrees
Energy at 0K	-133.522354
Energy at 298.15K	-133.527796
HF Energy	-133.070828
Nuclear repulsion energy	70.549614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3393	3204	11.65
2	A'	3156	2980	36.00
3	A'	3133	2959	15.50
4	A'	3065	2894	9.34
5	A'	1756	1658	44.39
6	A'	1534	1449	21.40
7	A'	1469	1387	22.00
8	A'	1450	1369	4.71
9	A'	1320	1247	54.21
10	A'	1096	1035	22.08
11	A'	939	887	2.01
12	A'	502	474	8.53
13	A"	3137	2962	13.79
14	A"	1523	1438	7.90
15	A"	1165	1100	45.41
16	A"	1107	1045	13.00
17	A"	698	659	11.21
18	A"	161	152	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	-1.027	-0.618	0.000
C2	0.000	0.485	0.000
N3	1.275	0.371	0.000
H4	-0.549	-1.604	0.000
H5	-1.674	-0.539	0.884
H6	-1.674	-0.539	-0.884
H7	-0.397	1.506	0.000
H8	1.536	-0.625	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5069	2.5055	1.0964	1.0977	1.0977	2.2153	2.5631
C2	1.5069		1.2796	2.1596	2.1518	2.1518	1.0958	1.8949
N3	2.5055	1.2796		2.6883	3.2097	3.2097	2.0203	1.0303
H4	1.0964	2.1596	2.6883		1.7835	1.7835	3.1138	2.3028
H5	1.0977	2.1518	3.2097	1.7835		1.7678	2.5677	3.3299
H6	1.0977	2.1518	3.2097	1.7835	1.7678		2.5677	3.3299
H7	2.2153	1.0958	2.0203	3.1138	2.5677	2.5677		2.8772
H8	2.5631	1.8949	1.0303	2.3028	3.3299	3.3299	2.8772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.904	C1	C2	H7	115.772
C2	C1	H4	111.129	C2	C1	H5	110.422
C2	C1	H6	110.422	C2	N3	H8	109.761
N3	C2	H7	116.324	H4	C1	H5	108.749
H4	C1	H6	108.749	H5	C1	H6	107.264

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: CCSD/6-31G*

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/6-31G*

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)