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	hartrees
Energy at 0K	-133.640104
Energy at 298.15K	-133.645536
HF Energy	-133.118719
Nuclear repulsion energy	70.644780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3399	3274
2	A'	3133	3017
3	A'	3106	2992
4	A'	3039	2927
5	A'	1686	1624
6	A'	1498	1443
7	A'	1451	1398
8	A'	1418	1366
9	A'	1290	1242
10	A'	1077	1037
11	A'	912	878
12	A'	489	471
13	A"	3113	2998
14	A"	1480	1425
15	A"	1149	1107
16	A"	1074	1034
17	A"	673	648
18	A"	169	163

Atom	x (Å)	y (Å)	z (Å)
C1	-1.026	-0.617	0.000
C2	0.000	0.487	0.000
N3	1.274	0.368	0.000
H4	-0.545	-1.599	0.000
H5	-1.668	-0.536	0.883
H6	-1.668	-0.536	-0.883
H7	-0.397	1.505	0.000
H8	1.515	-0.630	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5074	2.5027	1.0935	1.0946	1.0946	2.2137	2.5415
C2	1.5074		1.2800	2.1557	2.1468	2.1468	1.0927	1.8825
N3	2.5027	1.2800		2.6790	3.2025	3.2025	2.0212	1.0268
H4	1.0935	2.1557	2.6790		1.7811	1.7811	3.1075	2.2761
H5	1.0946	2.1468	3.2025	1.7811		1.7657	2.5617	3.3050
H6	1.0946	2.1468	3.2025	1.7811	1.7657		2.5617	3.3050
H7	2.2137	1.0927	2.0212	3.1075	2.5617	2.5617		2.8661
H8	2.5415	1.8825	1.0268	2.2761	3.3050	3.3050	2.8661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.575	C1	C2	H7	115.811
C2	C1	H4	110.952	C2	C1	H5	110.179
C2	C1	H6	110.179	C2	N3	H8	108.891
N3	C2	H7	116.614	H4	C1	H5	108.969
H4	C1	H6	108.969	H5	C1	H6	107.514

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: QCISD(T)/TZVP

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(T)/TZVP

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)