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	hartrees
Energy at 0K	-132.282484
Energy at 298.15K	-132.285567
HF Energy	-131.837406
Nuclear repulsion energy	63.717847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3299	3096	1.23
2	A'	3179	2983	17.82
3	A'	1798	1687	8.03
4	A'	1571	1474	0.05
5	A'	1366	1282	7.76
6	A'	1091	1024	0.22
7	A'	1045	980	50.50
8	A'	737	691	11.52
9	A"	3266	3065	24.01
10	A"	1153	1082	1.64
11	A"	1016	954	0.09
12	A"	799	750	16.93

Atom	x (Å)	y (Å)	z (Å)
N1	-0.865	-0.169	0.000
C2	0.000	0.745	0.000
C3	0.654	-0.532	0.000
H4	0.045	1.827	0.000
H5	1.043	-0.961	0.920
H6	1.043	-0.961	-0.920

	N1	C2	C3	H4	H5	H6
N1		1.2587	1.5623	2.1937	2.2615	2.2615
C2	1.2587		1.4348	1.0827	2.2007	2.2007
C3	1.5623	1.4348		2.4361	1.0868	1.0868
H4	2.1937	1.0827	2.4361		3.1002	3.1002
H5	2.2615	2.2007	1.0868	3.1002		1.8400
H6	2.2615	2.2007	1.0868	3.1002	1.8400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.559	N1	C2	H4	138.961
N1	C3	C2	49.441	N1	C3	H5	116.070
N1	C3	H6	116.070	C2	N1	C3	60.000
C2	C3	N1	49.441	C2	C3	H5	120.935
C2	C3	H6	120.935	C3	C2	H4	150.480
H5	C3	H6	115.667

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

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

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