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	hartrees
Energy at 0K	-131.345144
Energy at 298.15K	-131.347682
HF Energy	-131.010625
Nuclear repulsion energy	60.370014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3338	3237
2	A'	3058	2966
3	A'	1657	1607
4	A'	1367	1326
5	A'	1019	988
6	A'	761	738
7	A'	567	550
8	A"	3278	3179
9	A"	1111	1077
10	A"	993	963
11	A"	691	670
12	A"	412	400

Atom	x (Å)	y (Å)	z (Å)
N1	-0.039	0.985	0.000
C2	-0.039	-0.516	0.650
C3	-0.039	-0.516	-0.650
H4	0.980	1.250	0.000
H5	-0.123	-0.977	1.619
H6	-0.123	-0.977	-1.619

	N1	C2	C3	H4	H5	H6
N1		1.6365	1.6365	1.0521	2.5452	2.5452
C2	1.6365		1.3009	2.1398	1.0756	2.3171
C3	1.6365	1.3009		2.1398	2.3171	1.0756
H4	1.0521	2.1398	2.1398		2.9655	2.9655
H5	2.5452	1.0756	2.3171	2.9655		3.2376
H6	2.5452	2.3171	1.0756	2.9655	3.2376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	66.580	N1	C2	H5	138.655
N1	C3	C2	66.580	N1	C3	H6	138.655
C2	N1	C3	46.840	C2	N1	H4	103.327
C2	C3	H6	154.193	C3	N1	H4	103.327
C3	C2	H5	154.193

All results from a given calculation for CHNHCH (1H-Azirine)

using model chemistry: MP4/3-21G

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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