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

	hartrees
Energy at 0K	-133.051571
Energy at 298.15K
HF Energy	-132.518340
Nuclear repulsion energy	64.802361

	hartrees
Energy at 0K	-133.074388
Energy at 298.15K	-133.078567
HF Energy	-132.517330
Nuclear repulsion energy	64.805242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3397	3295
2	A'	3247	3150
3	A'	3142	3047
4	A'	3127	3033
5	A'	1504	1459
6	A'	1455	1411
7	A'	1380	1339
8	A'	1230	1193
9	A'	1132	1098
10	A'	986	956
11	A'	495	480
12	A"	1078	1046
13	A"	813	789
14	A"	701	679
15	A"	495	481

Atom	x (Å)	y (Å)
C1	0.000	0.455
C2	1.130	-0.382
N3	-1.257	0.061
H4	0.162	1.532
H5	2.131	0.029
H6	1.013	-1.460
H7	-1.282	-0.965

All results from a given calculation for CH₂CHNH (vinylazine)

using model chemistry: CCSD(T)/aug-cc-pVTZ

States and conformations

Conformer 1 (CS cis)

Conformer 2 (CS trans)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	C1	C2	N3	H4	H5	H6	H7
C1		1.4053	1.3173	1.0892	2.1731	2.1660	1.9126
C2	1.4053		2.4274	2.1440	1.0823	1.0850	2.4813
N3	1.3173	2.4274		2.0436	3.3884	2.7324	1.0258
H4	1.0892	2.1440	2.0436		2.4772	3.1105	2.8837
H5	2.1731	1.0823	3.3884	2.4772		1.8623	3.5550
H6	2.1660	1.0850	2.7324	3.1105	1.8623		2.3479
H7	1.9126	2.4813	1.0258	2.8837	3.5550	2.3479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.211	C1	C2	H6	120.323
C1	N3	H7	108.787	C2	C1	N3	126.109
C2	C1	H4	117.968	N3	C1	H4	115.922
H5	C2	H6	118.466

All results from a given calculation for CH2CHNH (vinylazine)

using model chemistry: CCSD(T)/aug-cc-pVTZ

States and conformations

Conformer 1 (CS cis)

Conformer 2 (CS trans)

All results from a given calculation for CH₂CHNH (vinylazine)