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	hartrees
Energy at 0K	-132.932419
Energy at 298.15K	-132.936549
HF Energy	-132.477843
Nuclear repulsion energy	64.162160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3414	3414
2	A'	3282	3282
3	A'	3163	3163
4	A'	3076	3076
5	A'	1507	1507
6	A'	1451	1451
7	A'	1358	1358
8	A'	1239	1239
9	A'	1106	1106
10	A'	985	985
11	A'	476	476
12	A"	1033	1033
13	A"	762	762
14	A"	672	672
15	A"	514	514

Atom	x (Å)	y (Å)
C1	0.000	0.427
C2	1.162	-0.388
N3	-1.203	-0.136
H4	0.147	1.524
H5	2.166	0.052
H6	1.048	-1.479
H7	-1.909	0.620

	C1	C2	N3	H4	H5	H6	H7
C1		1.4189	1.3282	1.1077	2.1984	2.1742	1.9192
C2	1.4189		2.3787	2.1647	1.0963	1.0969	3.2324
N3	1.3282	2.3787		2.1401	3.3748	2.6211	1.0341
H4	1.1077	2.1647	2.1401		2.4989	3.1351	2.2469
H5	2.1984	1.0963	3.3748	2.4989		1.8957	4.1151
H6	2.1742	1.0969	2.6211	3.1351	1.8957		3.6259
H7	1.9192	3.2324	1.0341	2.2469	4.1151	3.6259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.341	C1	C2	H6	119.035
C1	N3	H7	108.025	C2	C1	N3	119.937
C2	C1	H4	117.379	N3	C1	H4	122.684
H5	C2	H6	119.625

All results from a given calculation for CH₂CHNH (vinylazine)

using model chemistry: QCISD(TQ)/cc-pVDZ

States and conformations

	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: QCISD(TQ)/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHNH (vinylazine)