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	hartrees
Energy at 0K	-22.739435
Energy at 298.15K	-22.742461
HF Energy	-22.311318
Nuclear repulsion energy	33.477933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3100	1.86
2	A'	3148	2999	21.61
3	A'	1620	1543	5.74
4	A'	1521	1449	0.12
5	A'	1286	1225	8.78
6	A'	1048	998	0.06
7	A'	1009	961	55.50
8	A'	675	643	10.44
9	A"	3257	3104	22.55
10	A"	1123	1070	0.93
11	A"	986	940	0.50
12	A"	783	746	22.60

Atom	x (Å)	y (Å)	z (Å)
N1	-0.876	-0.180	0.000
C2	0.000	0.760	0.000
C3	0.669	-0.536	0.000
H4	0.027	1.845	0.000
H5	1.044	-0.965	0.926
H6	1.044	-0.965	-0.926

	N1	C2	C3	H4	H5	H6
N1		1.2842	1.5854	2.2169	2.2718	2.2718
C2	1.2842		1.4583	1.0856	2.2187	2.2187
C3	1.5854	1.4583		2.4660	1.0876	1.0876
H4	2.2169	1.0856	2.4660		3.1284	3.1284
H5	2.2718	2.2187	1.0876	3.1284		1.8529
H6	2.2718	2.2187	1.0876	3.1284	1.8529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.304	N1	C2	H4	138.453
N1	C3	C2	49.696	N1	C3	H5	115.136
N1	C3	H6	115.136	C2	N1	C3	60.000
C2	C3	N1	49.696	C2	C3	H5	120.562
C2	C3	H6	120.562	C3	C2	H4	151.243
H5	C3	H6	116.827

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

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

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