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	hartrees
Energy at 0K	-132.262084
Energy at 298.15K	-132.264713
HF Energy	-131.783748
Nuclear repulsion energy	62.221070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3347	3190
2	A'	3285	3131
3	A'	1715	1635
4	A'	1373	1308
5	A'	1067	1017
6	A'	863	823
7	A'	504	480
8	A"	3292	3138
9	A"	1155	1100
10	A"	949	905
11	A"	671	639
12	A"	535	510

Atom	x (Å)	y (Å)	z (Å)
N1	-0.037	0.913	0.000
C2	-0.037	-0.482	0.651
C3	-0.037	-0.482	-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		1.5392	1.5392	1.0386	2.4611	2.4611
C2	1.5392		1.3026	2.0723	1.0881	2.3392
C3	1.5392	1.3026		2.0723	2.3392	1.0881
H4	1.0386	2.0723	2.0723		2.9009	2.9009
H5	2.4611	1.0881	2.3392	2.9009		3.2916
H6	2.4611	2.3392	1.0881	2.9009	3.2916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	64.967	N1	C2	H5	138.373
N1	C3	C2	64.967	N1	C3	H6	138.373
C2	N1	C3	50.067	C2	N1	H4	105.357
C2	C3	H6	156.058	C3	N1	H4	105.357
C3	C2	H5	156.058

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

using model chemistry: QCISD(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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