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	hartrees
Energy at 0K	-131.368550
Energy at 298.15K	-131.371500
HF Energy	-131.061602
Nuclear repulsion energy	61.630776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3289	3129	1.89
2	A'	3214	3057	4.04
3	A'	1584	1507	1.43
4	A'	1442	1372	3.99
5	A'	1195	1137	18.68
6	A'	1032	982	21.59
7	A'	936	891	33.65
8	A'	583	554	1.60
9	A"	3329	3167	11.24
10	A"	1124	1070	1.16
11	A"	977	929	0.59
12	A"	796	757	26.32

Atom	x (Å)	y (Å)	z (Å)
N1	-0.906	-0.156	0.000
C2	0.000	0.771	0.000
C3	0.697	-0.567	0.000
H4	0.071	1.844	0.000
H5	1.047	-0.989	0.930
H6	1.047	-0.989	-0.930

	N1	C2	C3	H4	H5	H6
N1		1.2958	1.6548	2.2255	2.3186	2.3186
C2	1.2958		1.5077	1.0756	2.2489	2.2489
C3	1.6548	1.5077		2.4902	1.0799	1.0799
H4	2.2255	1.0756	2.4902		3.1373	3.1373
H5	2.3186	2.2489	1.0799	3.1373		1.8599
H6	2.3186	2.2489	1.0799	3.1373	1.8599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	71.899	N1	C2	H4	139.406
N1	C3	C2	48.101	N1	C3	H5	114.308
N1	C3	H6	114.308	C2	N1	C3	60.000
C2	C3	N1	48.101	C2	C3	H5	119.796
C2	C3	H6	119.796	C3	C2	H4	148.695
H5	C3	H6	118.892

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

using model chemistry: MP2/3-21G*

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

using model chemistry: MP2/3-21G*

States and conformations

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