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	hartrees
Energy at 0K	-132.307523
Energy at 298.15K	-132.310549
HF Energy	-131.835578
Nuclear repulsion energy	63.298179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3243	3148
2	A'	3131	3040
3	A'	1705	1655
4	A'	1543	1498
5	A'	1323	1284
6	A'	1060	1029
7	A'	1016	986
8	A'	686	666
9	A"	3219	3125
10	A"	1130	1097
11	A"	992	963
12	A"	763	741

Atom	x (Å)	y (Å)	z (Å)
N1	-0.870	-0.174	0.000
C2	0.000	0.752	0.000
C3	0.660	-0.534	0.000
H4	0.040	1.838	0.000
H5	1.047	-0.964	0.924
H6	1.047	-0.964	-0.924

	N1	C2	C3	H4	H5	H6
N1		1.2703	1.5720	2.2078	2.2703	2.2703
C2	1.2703		1.4450	1.0867	2.2121	2.2121
C3	1.5720	1.4450		2.4510	1.0902	1.0902
H4	2.2078	1.0867	2.4510		3.1171	3.1171
H5	2.2703	2.2121	1.0902	3.1171		1.8479
H6	2.2703	2.2121	1.0902	3.1171	1.8479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.419	N1	C2	H4	138.883
N1	C3	C2	49.581	N1	C3	H5	115.844
N1	C3	H6	115.844	C2	N1	C3	60.000
C2	C3	N1	49.581	C2	C3	H5	120.879
C2	C3	H6	120.879	C3	C2	H4	150.698
H5	C3	H6	115.879

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

using model chemistry: CCSD(T)=FULL/6-31G*

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)=FULL/6-31G*

States and conformations

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