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	hartrees
Energy at 0K	-132.243185
Energy at 298.15K	-132.245882
HF Energy	-131.786523
Nuclear repulsion energy	62.991308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3435	3226	3.46
2	A'	3432	3223	5.85
3	A'	1760	1653	9.08
4	A'	1365	1282	11.85
5	A'	1093	1027	2.49
6	A'	907	852	29.66
7	A'	539	506	97.39
8	A"	3376	3171	16.55
9	A"	1167	1096	47.84
10	A"	992	932	13.63
11	A"	725	681	9.52
12	A"	536	504	4.67

Atom	x (Å)	y (Å)	z (Å)
N1	-0.032	0.900	0.000
C2	-0.032	-0.478	0.644
C3	-0.032	-0.478	-0.644
H4	0.936	1.232	0.000
H5	-0.166	-0.896	1.621
H6	-0.166	-0.896	-1.621

	N1	C2	C3	H4	H5	H6
N1		1.5206	1.5206	1.0239	2.4227	2.4227
C2	1.5206		1.2870	2.0682	1.0713	2.3063
C3	1.5206	1.2870		2.0682	2.3063	1.0713
H4	1.0239	2.0682	2.0682		2.8936	2.8936
H5	2.4227	1.0713	2.3063	2.8936		3.2412
H6	2.4227	2.3063	1.0713	2.8936	3.2412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	64.964	N1	C2	H5	137.706
N1	C3	C2	64.964	N1	C3	H6	137.706
C2	N1	C3	50.073	C2	N1	H4	107.127
C2	C3	H6	155.795	C3	N1	H4	107.127
C3	C2	H5	155.795

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

using model chemistry: MP2=FULL/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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