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	hartrees
Energy at 0K	-132.305026
Energy at 298.15K	-132.308105
HF Energy	-131.846436
Nuclear repulsion energy	63.638521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3126	0.67
2	A'	3193	3008	19.66
3	A'	1762	1660	9.73
4	A'	1570	1480	0.09
5	A'	1356	1278	7.50
6	A'	1095	1032	0.70
7	A'	1046	985	48.65
8	A'	716	674	11.55
9	A"	3285	3096	21.02
10	A"	1147	1081	2.14
11	A"	1010	952	0.36
12	A"	797	751	20.16

Atom	x (Å)	y (Å)	z (Å)
N1	-0.866	-0.171	0.000
C2	0.000	0.747	0.000
C3	0.657	-0.532	0.000
H4	0.042	1.825	0.000
H5	1.041	-0.959	0.918
H6	1.041	-0.959	-0.918

	N1	C2	C3	H4	H5	H6
N1		1.2630	1.5656	2.1932	2.2584	2.2584
C2	1.2630		1.4384	1.0781	2.1996	2.1996
C3	1.5656	1.4384		2.4357	1.0827	1.0827
H4	2.1932	1.0781	2.4357		3.0967	3.0967
H5	2.2584	2.1996	1.0827	3.0967		1.8360
H6	2.2584	2.1996	1.0827	3.0967	1.8360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.499	N1	C2	H4	138.921
N1	C3	C2	49.501	N1	C3	H5	115.830
N1	C3	H6	115.830	C2	N1	C3	60.000
C2	C3	N1	49.501	C2	C3	H5	120.845
C2	C3	H6	120.845	C3	C2	H4	150.580
H5	C3	H6	115.961

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

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

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/6-31+G**

States and conformations

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