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	hartrees
Energy at 0K	-132.233021
Energy at 298.15K	-132.235644
HF Energy	-131.771285
Nuclear repulsion energy	62.624341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3370	3218
2	A'	3273	3125
3	A'	1744	1665
4	A'	1404	1340
5	A'	1087	1038
6	A'	888	848
7	A'	511	488
8	A"	3313	3163
9	A"	1174	1121
10	A"	973	929
11	A"	663	633
12	A"	526	502

Atom	x (Å)	y (Å)	z (Å)
N1	-0.035	0.907	0.000
C2	-0.035	-0.481	0.645
C3	-0.035	-0.481	-0.645
H4	0.948	1.232	0.000
H5	-0.144	-0.904	1.632
H6	-0.144	-0.904	-1.632

	N1	C2	C3	H4	H5	H6
N1		1.5309	1.5309	1.0350	2.4406	2.4406
C2	1.5309		1.2898	2.0778	1.0794	2.3185
C3	1.5309	1.2898		2.0778	2.3185	1.0794
H4	1.0350	2.0778	2.0778		2.9015	2.9015
H5	2.4406	1.0794	2.3185	2.9015		3.2642
H6	2.4406	2.3185	1.0794	2.9015	3.2642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	65.086	N1	C2	H5	137.780
N1	C3	C2	65.086	N1	C3	H6	137.780
C2	N1	C3	49.829	C2	N1	H4	106.539
C2	C3	H6	156.137	C3	N1	H4	106.539
C3	C2	H5	156.137

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

using model chemistry: MP4/6-31G*

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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