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	hartrees
Energy at 0K	-132.269990
Energy at 298.15K	-132.273070
HF Energy	-131.837222
Nuclear repulsion energy	63.661542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3095	1.25
2	A'	3178	2983	17.77
3	A'	1795	1684	8.05
4	A'	1570	1474	0.05
5	A'	1365	1281	7.79
6	A'	1090	1023	0.12
7	A'	1043	979	50.45
8	A'	735	690	11.45
9	A"	3266	3066	24.06
10	A"	1152	1081	1.62
11	A"	1014	952	0.09
12	A"	797	748	17.04

Atom	x (Å)	y (Å)	z (Å)
N1	-0.866	-0.169	0.000
C2	0.000	0.746	0.000
C3	0.655	-0.533	0.000
H4	0.045	1.828	0.000
H5	1.044	-0.961	0.920
H6	1.044	-0.961	-0.920

	N1	C2	C3	H4	H5	H6
N1		1.2599	1.5642	2.1950	2.2632	2.2632
C2	1.2599		1.4364	1.0830	2.2023	2.2023
C3	1.5642	1.4364		2.4379	1.0871	1.0871
H4	2.1950	1.0830	2.4379		3.1020	3.1020
H5	2.2632	2.2023	1.0871	3.1020		1.8407
H6	2.2632	2.2023	1.0871	3.1020	1.8407

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.571	N1	C2	H4	138.955
N1	C3	C2	49.429	N1	C3	H5	116.054
N1	C3	H6	116.054	C2	N1	C3	60.000
C2	C3	N1	49.429	C2	C3	H5	120.928
C2	C3	H6	120.928	C3	C2	H4	150.474
H5	C3	H6	115.691

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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