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	hartrees
Energy at 0K	-132.894646
Energy at 298.15K	-132.898782
HF Energy	-132.464281
Nuclear repulsion energy	64.478928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3396	3396
2	A'	3284	3284
3	A'	3179	3179
4	A'	3082	3082
5	A'	1537	1537
6	A'	1481	1481
7	A'	1377	1377
8	A'	1262	1262
9	A'	1123	1123
10	A'	1005	1005
11	A'	489	489
12	A"	1034	1034
13	A"	759	759
14	A"	681	681
15	A"	519	519

Atom	x (Å)	y (Å)
C1	0.000	0.426
C2	1.158	-0.376
N3	-1.196	-0.144
H4	0.133	1.517
H5	2.154	0.062
H6	1.059	-1.459
H7	-1.920	0.589

	C1	C2	N3	H4	H5	H6	H7
C1		1.4086	1.3253	1.0990	2.1841	2.1615	1.9272
C2	1.4086		2.3662	2.1524	1.0873	1.0877	3.2263
N3	1.3253	2.3662		2.1274	3.3564	2.6103	1.0304
H4	1.0990	2.1524	2.1274		2.4897	3.1161	2.2529
H5	2.1841	1.0873	3.3564	2.4897		1.8741	4.1078
H6	2.1615	1.0877	2.6103	3.1161	1.8741		3.6149
H7	1.9272	3.2263	1.0304	2.2529	4.1078	3.6149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.572	C1	C2	H6	119.413
C1	N3	H7	109.154	C2	C1	N3	119.853
C2	C1	H4	117.732	N3	C1	H4	122.415
H5	C2	H6	119.014

All results from a given calculation for CH₂CHNH (vinylazine)

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

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)/6-31G*

States and conformations

All results from a given calculation for CH₂CHNH (vinylazine)