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	hartrees
Energy at 0K	-132.303419
Energy at 298.15K	-132.306454
HF Energy	-131.861137
Nuclear repulsion energy	63.346495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3101	1.22
2	A'	3158	3001	16.94
3	A'	1657	1574	4.60
4	A'	1532	1456	0.29
5	A'	1307	1242	9.10
6	A'	1049	997	0.15
7	A'	1008	958	59.45
8	A'	677	644	9.27
9	A"	3261	3099	18.55
10	A"	1134	1078	1.11
11	A"	997	948	0.67
12	A"	783	744	19.43

Atom	x (Å)	y (Å)	z (Å)
N1	-0.869	-0.175	0.000
C2	0.000	0.752	0.000
C3	0.663	-0.533	0.000
H4	0.029	1.834	0.000
H5	1.037	-0.962	0.924
H6	1.037	-0.962	-0.924

	N1	C2	C3	H4	H5	H6
N1		1.2704	1.5733	2.2006	2.2596	2.2596
C2	1.2704		1.4458	1.0826	2.2059	2.2059
C3	1.5733	1.4458		2.4504	1.0850	1.0850
H4	2.2006	1.0826	2.4504		3.1123	3.1123
H5	2.2596	2.2059	1.0850	3.1123		1.8476
H6	2.2596	2.2059	1.0850	3.1123	1.8476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.452	N1	C2	H4	138.393
N1	C3	C2	49.548	N1	C3	H5	115.191
N1	C3	H6	115.191	C2	N1	C3	60.000
C2	C3	N1	49.548	C2	C3	H5	120.623
C2	C3	H6	120.623	C3	C2	H4	151.155
H5	C3	H6	116.730

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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