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	hartrees
Energy at 0K	-133.588556
Energy at 298.15K	-133.593970
HF Energy	-133.083578
Nuclear repulsion energy	70.150576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3375	3251
2	A'	3145	3029
3	A'	3100	2986
4	A'	3043	2931
5	A'	1705	1643
6	A'	1472	1418
7	A'	1428	1376
8	A'	1388	1337
9	A'	1281	1234
10	A'	1067	1028
11	A'	915	881
12	A'	479	462
13	A"	3127	3011
14	A"	1466	1412
15	A"	1137	1095
16	A"	1060	1021
17	A"	675	650
18	A"	168	162

Atom	x (Å)	y (Å)	z (Å)
C1	-1.031	-0.621	0.000
C2	0.000	0.488	0.000
N3	1.283	0.374	0.000
H4	-0.547	-1.615	0.000
H5	-1.682	-0.541	0.890
H6	-1.682	-0.541	-0.890
H7	-0.403	1.518	0.000
H8	1.517	-0.636	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5139	2.5187	1.1050	1.1063	1.1063	2.2296	2.5479
C2	1.5139		1.2881	2.1726	2.1632	2.1632	1.1066	1.8877
N3	2.5187	1.2881		2.7030	3.2282	3.2282	2.0376	1.0363
H4	1.1050	2.1726	2.7030		1.7987	1.7987	3.1365	2.2850
H5	1.1063	2.1632	3.2282	1.7987		1.7808	2.5821	3.3223
H6	1.1063	2.1632	3.2282	1.7987	1.7808		2.5821	3.3223
H7	2.2296	1.1066	2.0376	3.1365	2.5821	2.5821		2.8854
H8	2.5479	1.8877	1.0363	2.2850	3.3223	3.3223	2.8854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.844	C1	C2	H7	115.738
C2	C1	H4	111.156	C2	C1	H5	110.328
C2	C1	H6	110.328	C2	N3	H8	108.118
N3	C2	H7	116.417	H4	C1	H5	108.864
H4	C1	H6	108.864	H5	C1	H6	107.198

All results from a given calculation for CH₃CHNH (ethanimine)

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

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)