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	hartrees
Energy at 0K	-132.350851
Energy at 298.15K	-132.353911
HF Energy	-131.851753
Nuclear repulsion energy	63.541925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	3120	0.24
2	A'	3178	3002	12.65
3	A'	1657	1565	5.14
4	A'	1519	1435	0.01
5	A'	1313	1240	7.77
6	A'	1055	997	0.30
7	A'	1014	958	46.51
8	A'	706	667	9.47
9	A"	3282	3100	11.84
10	A"	1129	1067	1.58
11	A"	1002	947	0.34
12	A"	805	760	12.97

Atom	x (Å)	y (Å)	z (Å)
N1	-0.866	-0.178	0.000
C2	0.000	0.750	0.000
C3	0.658	-0.530	0.000
H4	0.034	1.829	0.000
H5	1.038	-0.954	0.922
H6	1.038	-0.954	-0.922

	N1	C2	C3	H4	H5	H6
N1		1.2693	1.5645	2.1988	2.2536	2.2536
C2	1.2693		1.4398	1.0788	2.1984	2.1984
C3	1.5645	1.4398		2.4400	1.0835	1.0835
H4	2.1988	1.0788	2.4400		3.0987	3.0987
H5	2.2536	2.1984	1.0835	3.0987		1.8437
H6	2.2536	2.1984	1.0835	3.0987	1.8437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.228	N1	C2	H4	138.775
N1	C3	C2	49.772	N1	C3	H5	115.458
N1	C3	H6	115.458	C2	N1	C3	60.000
C2	C3	N1	49.772	C2	C3	H5	120.551
C2	C3	H6	120.551	C3	C2	H4	150.997
H5	C3	H6	116.606

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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