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	hartrees
Energy at 0K	-132.227645
Energy at 298.15K	-132.230762
HF Energy	-131.838240
Nuclear repulsion energy	64.022827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3087	1.33
2	A'	3215	2970	20.63
3	A'	1830	1690	11.36
4	A'	1597	1475	0.03
5	A'	1398	1291	8.28
6	A'	1117	1032	0.66
7	A'	1070	988	51.75
8	A'	759	701	13.27
9	A"	3302	3050	26.55
10	A"	1174	1084	1.91
11	A"	1036	957	0.04
12	A"	830	767	15.81

Atom	x (Å)	y (Å)	z (Å)
N1	-0.861	-0.169	0.000
C2	0.000	0.741	0.000
C3	0.650	-0.529	0.000
H4	0.045	1.820	0.000
H5	1.039	-0.957	0.917
H6	1.039	-0.957	-0.917

	N1	C2	C3	H4	H5	H6
N1		1.2529	1.5531	2.1857	2.2517	2.2517
C2	1.2529		1.4269	1.0796	2.1920	2.1920
C3	1.5531	1.4269		2.4254	1.0839	1.0839
H4	2.1857	1.0796	2.4254		3.0887	3.0887
H5	2.2517	2.1920	1.0839	3.0887		1.8333
H6	2.2517	2.1920	1.0839	3.0887	1.8333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.500	N1	C2	H4	139.018
N1	C3	C2	49.500	N1	C3	H5	116.133
N1	C3	H6	116.133	C2	N1	C3	60.000
C2	C3	N1	49.500	C2	C3	H5	121.016
C2	C3	H6	121.016	C3	C2	H4	150.482
H5	C3	H6	115.483

All results from a given calculation for CHNCH₂ (2H-Azirine)

using model chemistry: CID/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 CHNCH2 (2H-Azirine)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for CHNCH₂ (2H-Azirine)