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	hartrees
Energy at 0K	-132.342043
Energy at 298.15K	-132.345055
HF Energy	-131.860868
Nuclear repulsion energy	63.209053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3209	3089
2	A'	3102	2986
3	A'	1680	1618
4	A'	1519	1462
5	A'	1304	1255
6	A'	1039	1000
7	A'	996	959
8	A'	666	641
9	A"	3196	3077
10	A"	1113	1072
11	A"	980	943
12	A"	761	732

Atom	x (Å)	y (Å)	z (Å)
N1	-0.872	-0.170	0.000
C2	0.000	0.751	0.000
C3	0.664	-0.537	0.000
H4	0.034	1.837	0.000
H5	1.043	-0.967	0.926
H6	1.043	-0.967	-0.926

	N1	C2	C3	H4	H5	H6
N1		1.2684	1.5801	2.2018	2.2726	2.2726
C2	1.2684		1.4496	1.0865	2.2136	2.2136
C3	1.5801	1.4496		2.4567	1.0893	1.0893
H4	2.2018	1.0865	2.4567		3.1214	3.1214
H5	2.2726	2.2136	1.0893	3.1214		1.8524
H6	2.2726	2.2136	1.0893	3.1214	1.8524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.731	N1	C2	H4	138.323
N1	C3	C2	49.269	N1	C3	H5	115.490
N1	C3	H6	115.490	C2	N1	C3	60.000
C2	C3	N1	49.269	C2	C3	H5	120.694
C2	C3	H6	120.694	C3	C2	H4	150.946
H5	C3	H6	116.482

All results from a given calculation for CHNCH₂ (2H-Azirine)

using model chemistry: CCSD(T)/6-311G*

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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All results from a given calculation for CHNCH2 (2H-Azirine)

using model chemistry: CCSD(T)/6-311G*

States and conformations

All results from a given calculation for CHNCH₂ (2H-Azirine)