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	hartrees
Energy at 0K	-131.349905
Energy at 298.15K	-131.352445
HF Energy	-131.010681
Nuclear repulsion energy	60.379520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3339	3268
2	A'	3059	2994
3	A'	1657	1622
4	A'	1367	1338
5	A'	1019	998
6	A'	761	745
7	A'	567	555
8	A"	3278	3209
9	A"	1111	1088
10	A"	994	973
11	A"	692	677
12	A"	413	404

Atom	x (Å)	y (Å)	z (Å)
N1	-0.039	0.985	0.000
C2	-0.039	-0.516	0.650
C3	-0.039	-0.516	-0.650
H4	0.980	1.250	0.000
H5	-0.123	-0.977	1.619
H6	-0.123	-0.977	-1.619

	N1	C2	C3	H4	H5	H6
N1		1.6362	1.6362	1.0520	2.5449	2.5449
C2	1.6362		1.3007	2.1396	1.0755	2.3168
C3	1.6362	1.3007		2.1396	2.3168	1.0755
H4	1.0520	2.1396	2.1396		2.9652	2.9652
H5	2.5449	1.0755	2.3168	2.9652		3.2372
H6	2.5449	2.3168	1.0755	2.9652	3.2372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	66.578	N1	C2	H5	138.661
N1	C3	C2	66.578	N1	C3	H6	138.661
C2	N1	C3	46.844	C2	N1	H4	103.337
C2	C3	H6	154.190	C3	N1	H4	103.337
C3	C2	H5	154.190

All results from a given calculation for CHNHCH (1H-Azirine)

using model chemistry: MP4=FULL/3-21G

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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