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	hartrees
Energy at 0K	-132.548205
Energy at 298.15K	-132.551255
HF Energy	-132.397669
Nuclear repulsion energy	63.585129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3265	2.48
2	A'	3154	3154	20.21
3	A'	1722	1722	8.46
4	A'	1546	1546	0.08
5	A'	1326	1326	8.66
6	A'	1066	1066	0.04
7	A'	1017	1017	49.32
8	A'	690	690	10.75
9	A"	3247	3247	24.97
10	A"	1134	1134	1.40
11	A"	997	997	0.11
12	A"	797	797	12.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.867	-0.170	0.000
C2	0.000	0.747	0.000
C3	0.657	-0.533	0.000
H4	0.042	1.828	0.000
H5	1.043	-0.960	0.919
H6	1.043	-0.960	-0.919

	N1	C2	C3	H4	H5	H6
N1		1.2628	1.5673	2.1954	2.2622	2.2622
C2	1.2628		1.4394	1.0811	2.2018	2.2018
C3	1.5673	1.4394		2.4396	1.0845	1.0845
H4	2.1954	1.0811	2.4396		3.1012	3.1012
H5	2.2622	2.2018	1.0845	3.1012		1.8387
H6	2.2622	2.2018	1.0845	3.1012	1.8387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.558	N1	C2	H4	138.864
N1	C3	C2	49.442	N1	C3	H5	115.905
N1	C3	H6	115.905	C2	N1	C3	60.000
C2	C3	N1	49.442	C2	C3	H5	120.834
C2	C3	H6	120.834	C3	C2	H4	150.578
H5	C3	H6	115.936

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G**

States and conformations

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