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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	CS cis	²A^"
1	2	no	CS trans	²A^"

	hartrees
Energy at 0K	-133.307101
Energy at 298.15K	-133.311272
HF Energy	-133.307101
Nuclear repulsion energy	64.616673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3404	3302	0.95
2	A'	3267	3169	4.20
3	A'	3150	3055	2.85
4	A'	3033	2942	53.55
5	A'	1504	1459	9.46
6	A'	1444	1400	2.58
7	A'	1348	1308	37.79
8	A'	1246	1208	4.71
9	A'	1117	1083	22.23
10	A'	988	959	10.86
11	A'	485	471	9.70
12	A"	1044	1013	0.00
13	A"	813	788	8.90
14	A"	668	648	84.41
15	A"	534	518	6.01

All results from a given calculation for CH₂CHNH (vinylazine)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

Conformer 1 (CS cis)

	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 CH2CHNH (vinylazine)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

Conformer 1 (CS cis)

All results from a given calculation for CH₂CHNH (vinylazine)