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	hartrees
Energy at 0K	-132.261706
Energy at 298.15K	-132.264341
HF Energy	-131.783835
Nuclear repulsion energy	62.239199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3348	3277
2	A'	3287	3217
3	A'	1717	1681
4	A'	1374	1344
5	A'	1069	1047
6	A'	865	846
7	A'	505	494
8	A"	3293	3223
9	A"	1156	1131
10	A"	950	930
11	A"	672	658
12	A"	539	528

Atom	x (Å)	y (Å)	z (Å)
N1	-0.037	0.913	0.000
C2	-0.037	-0.481	0.651
C3	-0.037	-0.481	-0.651
H4	0.956	1.217	0.000
H5	-0.123	-0.915	1.646
H6	-0.123	-0.915	-1.646

	N1	C2	C3	H4	H5	H6
N1		1.5385	1.5385	1.0385	2.4605	2.4605
C2	1.5385		1.3024	2.0720	1.0880	2.3388
C3	1.5385	1.3024		2.0720	2.3388	1.0880
H4	1.0385	2.0720	2.0720		2.9006	2.9006
H5	2.4605	1.0880	2.3388	2.9006		3.2910
H6	2.4605	2.3388	1.0880	2.9006	3.2910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	64.960	N1	C2	H5	138.389
N1	C3	C2	64.960	N1	C3	H6	138.389
C2	N1	C3	50.079	C2	N1	H4	105.381
C2	C3	H6	156.045	C3	N1	H4	105.381
C3	C2	H5	156.045

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

using model chemistry: CCSD(T)/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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