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	hartrees
Energy at 0K	-132.302880
Energy at 298.15K	-132.305945
HF Energy	-131.847492
Nuclear repulsion energy	63.309258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3087	0.75
2	A'	3163	2974	17.23
3	A'	1773	1668	7.83
4	A'	1524	1433	0.06
5	A'	1351	1270	8.19
6	A'	1061	997	0.76
7	A'	1015	954	48.19
8	A'	710	668	9.71
9	A"	3260	3065	22.15
10	A"	1120	1053	2.09
11	A"	993	933	0.25
12	A"	796	749	16.50

Atom	x (Å)	y (Å)	z (Å)
N1	-0.871	-0.168	0.000
C2	0.000	0.748	0.000
C3	0.659	-0.537	0.000
H4	0.044	1.839	0.000
H5	1.049	-0.965	0.929
H6	1.049	-0.965	-0.929

	N1	C2	C3	H4	H5	H6
N1		1.2645	1.5743	2.2056	2.2776	2.2776
C2	1.2645		1.4445	1.0911	2.2137	2.2137
C3	1.5743	1.4445		2.4540	1.0950	1.0950
H4	2.2056	1.0911	2.4540		3.1201	3.1201
H5	2.2776	2.2137	1.0950	3.1201		1.8586
H6	2.2776	2.2137	1.0950	3.1201	1.8586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.703	N1	C2	H4	138.761
N1	C3	C2	49.297	N1	C3	H5	115.973
N1	C3	H6	115.973	C2	N1	C3	60.000
C2	C3	N1	49.297	C2	C3	H5	120.691
C2	C3	H6	120.691	C3	C2	H4	150.536
H5	C3	H6	116.138

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

using model chemistry: MP3=FULL/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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All results from a given calculation for CHNCH2 (2H-Azirine)

using model chemistry: MP3=FULL/cc-pVDZ

States and conformations

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