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	hartrees
Energy at 0K	-132.940609
Energy at 298.15K
HF Energy	-132.479309
Nuclear repulsion energy	64.532363

Atom	x (Å)	y (Å)
C1	0.000	0.424
C2	1.161	-0.374
N3	-1.198	-0.144
H4	0.124	1.510
H5	2.147	0.072
H6	1.069	-1.453
H7	-1.918	0.584

	C1	C2	N3	H4	H5	H6	H7
C1		1.4091	1.3262	1.0928	2.1755	2.1600	1.9248
C2	1.4091		2.3707	2.1504	1.0819	1.0824	3.2250
N3	1.3262	2.3707		2.1177	3.3522	2.6181	1.0239
H4	1.0928	2.1504	2.1177		2.4815	3.1095	2.2426
H5	2.1755	1.0819	3.3522	2.4815		1.8670	4.0972
H6	2.1600	1.0824	2.6181	3.1095	1.8670		3.6156
H7	1.9248	3.2250	1.0239	2.2426	4.0972	3.6156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.142	C1	C2	H6	119.632
C1	N3	H7	109.307	C2	C1	N3	120.129
C2	C1	H4	117.970	N3	C1	H4	121.901
H5	C2	H6	119.226

All results from a given calculation for CH₂CHNH (vinylazine)

using model chemistry: QCISD(TQ)/6-31+G**

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)/6-31+G**

States and conformations

All results from a given calculation for CH₂CHNH (vinylazine)