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	hartrees
Energy at 0K	-132.371409
Energy at 298.15K	-132.374484
HF Energy	-131.863077
Nuclear repulsion energy	63.715490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3269	0.98
2	A'	3154	3154	18.90
3	A'	1781	1781	7.86
4	A'	1549	1549	0.27
5	A'	1353	1353	8.81
6	A'	1074	1074	0.12
7	A'	1027	1027	59.40
8	A'	720	720	12.15
9	A"	3248	3248	22.17
10	A"	1140	1140	1.53
11	A"	1007	1007	0.27
12	A"	800	800	20.40

Atom	x (Å)	y (Å)	z (Å)
N1	-0.866	-0.165	0.000
C2	0.000	0.743	0.000
C3	0.658	-0.534	0.000
H4	0.038	1.825	0.000
H5	1.039	-0.962	0.922
H6	1.039	-0.962	-0.922

	N1	C2	C3	H4	H5	H6
N1		1.2550	1.5678	2.1854	2.2614	2.2614
C2	1.2550		1.4372	1.0819	2.1993	2.1993
C3	1.5678	1.4372		2.4391	1.0853	1.0853
H4	2.1854	1.0819	2.4391		3.1009	3.1009
H5	2.2614	2.1993	1.0853	3.1009		1.8437
H6	2.2614	2.1993	1.0853	3.1009	1.8437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.865	N1	C2	H4	138.389
N1	C3	C2	49.135	N1	C3	H5	115.744
N1	C3	H6	115.744	C2	N1	C3	60.000
C2	C3	N1	49.135	C2	C3	H5	120.723
C2	C3	H6	120.723	C3	C2	H4	150.746
H5	C3	H6	116.293

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

using model chemistry: MP3=FULL/6-311G*

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/6-311G*

States and conformations

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