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	hartrees
Energy at 0K	-133.588293
Energy at 298.15K	-133.593748
HF Energy	-133.093691
Nuclear repulsion energy	70.310183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3430	3308	4.76
2	A'	3140	3029	34.74
3	A'	3117	3006	12.13
4	A'	3041	2933	9.70
5	A'	1737	1675	50.18
6	A'	1475	1423	22.85
7	A'	1437	1386	17.19
8	A'	1396	1346	3.25
9	A'	1287	1242	43.49
10	A'	1074	1036	16.83
11	A'	921	889	2.80
12	A'	489	471	8.07
13	A"	3117	3006	12.66
14	A"	1467	1414	7.34
15	A"	1144	1104	46.48
16	A"	1070	1032	5.88
17	A"	687	663	8.56
18	A"	178	171	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-1.029	-0.621	0.000
C2	0.000	0.489	0.000
N3	1.277	0.370	0.000
H4	-0.547	-1.613	0.000
H5	-1.679	-0.537	0.889
H6	-1.679	-0.537	-0.889
H7	-0.397	1.517	0.000
H8	1.533	-0.628	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5135	2.5102	1.1027	1.1044	1.1044	2.2296	2.5623
C2	1.5135		1.2829	2.1719	2.1591	2.1591	1.1024	1.8968
N3	2.5102	1.2829		2.6944	3.2174	3.2174	2.0300	1.0299
H4	1.1027	2.1719	2.6944		1.7965	1.7965	3.1337	2.3019
H5	1.1044	2.1591	3.2174	1.7965		1.7784	2.5796	3.3340
H6	1.1044	2.1591	3.2174	1.7965	1.7784		2.5796	3.3340
H7	2.2296	1.1024	2.0300	3.1337	2.5796	2.5796		2.8859
H8	2.5623	1.8968	1.0299	2.3019	3.3340	3.3340	2.8859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.505	C1	C2	H7	116.044
C2	C1	H4	111.259	C2	C1	H5	110.144
C2	C1	H6	110.144	C2	N3	H8	109.717
N3	C2	H7	116.451	H4	C1	H5	108.973
H4	C1	H6	108.973	H5	C1	H6	107.250

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: CCD/aug-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: CCD/aug-cc-pVDZ

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)