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	hartrees
Energy at 0K	-132.229491
Energy at 298.15K	-132.232181
HF Energy	-131.786237
Nuclear repulsion energy	62.920502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3432	3228	3.34
2	A'	3428	3225	6.14
3	A'	1757	1653	9.14
4	A'	1364	1283	11.69
5	A'	1092	1027	2.42
6	A'	905	851	29.51
7	A'	536	504	97.51
8	A"	3375	3174	16.34
9	A"	1164	1095	47.81
10	A"	991	932	13.61
11	A"	720	677	9.35
12	A"	533	502	4.76

Atom	x (Å)	y (Å)	z (Å)
N1	-0.032	0.901	0.000
C2	-0.032	-0.479	0.644
C3	-0.032	-0.479	-0.644
H4	0.938	1.233	0.000
H5	-0.167	-0.898	1.622
H6	-0.167	-0.898	-1.622

	N1	C2	C3	H4	H5	H6
N1		1.5225	1.5225	1.0248	2.4255	2.4255
C2	1.5225		1.2885	2.0700	1.0721	2.3084
C3	1.5225	1.2885		2.0700	2.3084	1.0721
H4	1.0248	2.0700	2.0700		2.8967	2.8967
H5	2.4255	1.0721	2.3084	2.8967		3.2435
H6	2.4255	2.3084	1.0721	2.8967	3.2435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	64.967	N1	C2	H5	137.721
N1	C3	C2	64.967	N1	C3	H6	137.721
C2	N1	C3	50.066	C2	N1	H4	107.085
C2	C3	H6	155.752	C3	N1	H4	107.085
C3	C2	H5	155.752

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

using model chemistry: MP2/6-31+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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