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	hartrees
Energy at 0K	-133.606775
Energy at 298.15K	-133.612216
HF Energy	-133.108517
Nuclear repulsion energy	70.708058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3462	3306	5.56
2	A'	3151	3009	31.79
3	A'	3116	2976	21.91
4	A'	3058	2920	10.60
5	A'	1758	1679	43.11
6	A'	1508	1440	20.45
7	A'	1460	1395	22.25
8	A'	1424	1360	4.39
9	A'	1308	1249	47.17
10	A'	1086	1037	17.08
11	A'	927	886	2.13
12	A'	493	470	8.78
13	A"	3132	2992	14.94
14	A"	1499	1432	8.26
15	A"	1170	1117	45.58
16	A"	1090	1041	5.48
17	A"	691	660	9.33
18	A"	159	152	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	-1.021	-0.626	0.000
C2	0.000	0.487	0.000
N3	1.269	0.378	0.000
H4	-0.534	-1.606	0.000
H5	-1.665	-0.549	0.884
H6	-1.665	-0.549	-0.884
H7	-0.406	1.504	0.000
H8	1.517	-0.616	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5103	2.5001	1.0951	1.0963	1.0963	2.2174	2.5380
C2	1.5103		1.2732	2.1605	2.1511	2.1511	1.0953	1.8753
N3	2.5001	1.2732		2.6809	3.2012	3.2012	2.0178	1.0244
H4	1.0951	2.1605	2.6809		1.7831	1.7831	3.1136	2.2775
H5	1.0963	2.1511	3.2012	1.7831		1.7675	2.5659	3.3032
H6	1.0963	2.1511	3.2012	1.7831	1.7675		2.5659	3.3032
H7	2.2174	1.0953	2.0178	3.1136	2.5659	2.5659		2.8620
H8	2.5380	1.8753	1.0244	2.2775	3.3032	3.3032	2.8620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.633	C1	C2	H7	115.721
C2	C1	H4	111.039	C2	C1	H5	110.218
C2	C1	H6	110.218	C2	N3	H8	108.934
N3	C2	H7	116.646	H4	C1	H5	108.918
H4	C1	H6	108.918	H5	C1	H6	107.443

All results from a given calculation for CH₃CHNH (ethanimine)

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

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)