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	hartrees
Energy at 0K	-132.297766
Energy at 298.15K	-132.300853
HF Energy	-131.842616
Nuclear repulsion energy	63.689016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3318	3111	1.35
2	A'	3193	2994	20.47
3	A'	1770	1659	8.33
4	A'	1577	1478	0.24
5	A'	1367	1282	7.87
6	A'	1097	1029	0.31
7	A'	1049	983	42.30
8	A'	730	684	9.90
9	A"	3285	3080	27.28
10	A"	1152	1080	2.32
11	A"	1018	955	0.16
12	A"	800	750	14.83

Atom	x (Å)	y (Å)	z (Å)
N1	-0.866	-0.172	0.000
C2	0.000	0.747	0.000
C3	0.655	-0.531	0.000
H4	0.046	1.824	0.000
H5	1.042	-0.958	0.917
H6	1.042	-0.958	-0.917

	N1	C2	C3	H4	H5	H6
N1		1.2626	1.5628	2.1945	2.2582	2.2582
C2	1.2626		1.4364	1.0781	2.1986	2.1986
C3	1.5628	1.4364		2.4330	1.0829	1.0829
H4	2.1945	1.0781	2.4330		3.0941	3.0941
H5	2.2582	2.1986	1.0829	3.0941		1.8338
H6	2.2582	2.1986	1.0829	3.0941	1.8338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.428	N1	C2	H4	139.147
N1	C3	C2	49.572	N1	C3	H5	116.013
N1	C3	H6	116.013	C2	N1	C3	60.000
C2	C3	N1	49.572	C2	C3	H5	120.906
C2	C3	H6	120.906	C3	C2	H4	150.425
H5	C3	H6	115.719

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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