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	hartrees
Energy at 0K	-133.692503
Energy at 298.15K	-133.697977
HF Energy	-133.125009
Nuclear repulsion energy	71.040364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3465	3235	2.91
2	A'	3151	2943	27.23
3	A'	3119	2913	17.44
4	A'	3059	2856	8.30
5	A'	1762	1645	48.59
6	A'	1504	1404	23.12
7	A'	1454	1357	22.17
8	A'	1420	1326	3.93
9	A'	1303	1217	53.20
10	A'	1085	1013	20.10
11	A'	929	867	2.90
12	A'	495	463	8.18
13	A"	3130	2922	11.11
14	A"	1497	1398	8.09
15	A"	1167	1090	46.35
16	A"	1094	1021	7.30
17	A"	704	657	8.67
18	A"	174	162	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	-1.017	-0.619	0.000
C2	0.000	0.486	0.000
N3	1.263	0.371	0.000
H4	-0.537	-1.597	0.000
H5	-1.660	-0.542	0.878
H6	-1.660	-0.542	-0.878
H7	-0.400	1.499	0.000
H8	1.518	-0.616	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5018	2.4857	1.0893	1.0909	1.0909	2.2066	2.5354
C2	1.5018		1.2681	2.1508	2.1408	2.1408	1.0896	1.8762
N3	2.4857	1.2681		2.6668	3.1856	3.1856	2.0094	1.0200
H4	1.0893	2.1508	2.6668		1.7737	1.7737	3.0993	2.2770
H5	1.0909	2.1408	3.1856	1.7737		1.7555	2.5544	3.2984
H6	1.0909	2.1408	3.1856	1.7737	1.7555		2.5544	3.2984
H7	2.2066	1.0896	2.0094	3.0993	2.5544	2.5544		2.8559
H8	2.5354	1.8762	1.0200	2.2770	3.2984	3.2984	2.8559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.435	C1	C2	H7	115.840
C2	C1	H4	111.215	C2	C1	H5	110.308
C2	C1	H6	110.308	C2	N3	H8	109.695
N3	C2	H7	116.725	H4	C1	H5	108.882
H4	C1	H6	108.882	H5	C1	H6	107.140

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: CCD/cc-pVTZ

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/cc-pVTZ

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)