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	hartrees
Energy at 0K	-132.239585
Energy at 298.15K	-132.242345
HF Energy	-131.785842
Nuclear repulsion energy	62.652119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3381	3234	1.83
2	A'	3343	3199	28.64
3	A'	1776	1699	5.13
4	A'	1395	1335	12.96
5	A'	1109	1061	2.66
6	A'	899	860	18.70
7	A'	545	521	66.46
8	A"	3322	3178	11.84
9	A"	1181	1130	34.20
10	A"	982	939	14.49
11	A"	733	701	3.02
12	A"	609	583	2.98

Atom	x (Å)	y (Å)	z (Å)
N1	-0.037	0.904	0.000
C2	-0.037	-0.477	0.647
C3	-0.037	-0.477	-0.647
H4	0.948	1.220	0.000
H5	-0.120	-0.908	1.640
H6	-0.120	-0.908	-1.640

	N1	C2	C3	H4	H5	H6
N1		1.5252	1.5252	1.0347	2.4456	2.4456
C2	1.5252		1.2938	2.0665	1.0859	2.3289
C3	1.5252	1.2938		2.0665	2.3289	1.0859
H4	1.0347	2.0665	2.0665		2.8915	2.8915
H5	2.4456	1.0859	2.3289	2.8915		3.2805
H6	2.4456	2.3289	1.0859	2.8915	3.2805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	64.903	N1	C2	H5	138.356
N1	C3	C2	64.903	N1	C3	H6	138.356
C2	N1	C3	50.193	C2	N1	H4	106.070
C2	C3	H6	156.171	C3	N1	H4	106.070
C3	C2	H5	156.171

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

using model chemistry: CCD/cc-pVDZ

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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