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	hartrees
Energy at 0K	-132.302613
Energy at 298.15K	-132.305699
HF Energy	-131.846723
Nuclear repulsion energy	63.702160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3335	3103	0.63
2	A'	3211	2988	19.13
3	A'	1791	1666	10.38
4	A'	1576	1466	0.13
5	A'	1363	1268	8.09
6	A'	1099	1022	0.31
7	A'	1047	975	51.04
8	A'	724	674	11.85
9	A"	3304	3074	20.78
10	A"	1150	1070	2.03
11	A"	1012	942	0.26
12	A"	801	746	20.81

Atom	x (Å)	y (Å)	z (Å)
N1	-0.866	-0.169	0.000
C2	0.000	0.746	0.000
C3	0.657	-0.533	0.000
H4	0.044	1.822	0.000
H5	1.041	-0.958	0.917
H6	1.041	-0.958	-0.917

	N1	C2	C3	H4	H5	H6
N1		1.2601	1.5659	2.1891	2.2587	2.2587
C2	1.2601		1.4376	1.0768	2.1973	2.1973
C3	1.5659	1.4376		2.4332	1.0813	1.0813
H4	2.1891	1.0768	2.4332		3.0924	3.0924
H5	2.2587	2.1973	1.0813	3.0924		1.8339
H6	2.2587	2.1973	1.0813	3.0924	1.8339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.614	N1	C2	H4	138.890
N1	C3	C2	49.386	N1	C3	H5	115.922
N1	C3	H6	115.922	C2	N1	C3	60.000
C2	C3	N1	49.386	C2	C3	H5	120.802
C2	C3	H6	120.802	C3	C2	H4	150.496
H5	C3	H6	115.987

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

using model chemistry: MP3/6-31+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 CHNCH2 (2H-Azirine)

using model chemistry: MP3/6-31+G**

States and conformations

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