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	hartrees
Energy at 0K	-132.290075
Energy at 298.15K	-132.292654
HF Energy	-131.792984
Nuclear repulsion energy	62.070081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3370	3292
2	A'	3273	3198
3	A'	1744	1703
4	A'	1404	1371
5	A'	1087	1062
6	A'	888	867
7	A'	511	500
8	A"	3313	3236
9	A"	1174	1147
10	A"	973	950
11	A"	663	648
12	A"	526	514

Atom	x (Å)	y (Å)	z (Å)
N1	-0.036	0.917	0.000
C2	-0.036	-0.485	0.652
C3	-0.036	-0.485	-0.652
H4	0.949	1.236	0.000
H5	-0.135	-0.916	1.644
H6	-0.135	-0.916	-1.644

	N1	C2	C3	H4	H5	H6
N1		1.5464	1.5464	1.0354	2.4643	2.4643
C2	1.5464		1.3035	2.0874	1.0865	2.3383
C3	1.5464	1.3035		2.0874	2.3383	1.0865
H4	1.0354	2.0874	2.0874		2.9170	2.9170
H5	2.4643	1.0865	2.3383	2.9170		3.2889
H6	2.4643	2.3383	1.0865	2.9170	3.2889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	65.072	N1	C2	H5	138.095
N1	C3	C2	65.072	N1	C3	H6	138.095
C2	N1	C3	49.856	C2	N1	H4	106.209
C2	C3	H6	156.016	C3	N1	H4	106.209
C3	C2	H5	156.016

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

using model chemistry: MP4/aug-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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