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	hartrees
Energy at 0K	-132.447284
Energy at 298.15K	-132.443185
HF Energy	-131.840330
Nuclear repulsion energy	64.844414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3423	3225	3.12
2	A'	3282	3092	33.26
3	A'	1935	1823	26.34
4	A'	1668	1572	0.10
5	A'	1463	1379	13.32
6	A'	1181	1113	1.33
7	A'	1123	1058	56.05
8	A'	794	748	18.33
9	A"	3362	3167	40.14
10	A"	1224	1153	2.90
11	A"	1085	1023	0.02
12	A"	894	842	13.09

Atom	x (Å)	y (Å)	z (Å)
N1	-0.867	-0.179	0.000
C2	0.000	0.752	0.000
C3	0.658	-0.530	0.000
H4	0.036	1.835	0.000
H5	1.041	-0.959	0.922
H6	1.041	-0.959	-0.922

	N1	C2	C3	H4	H5	H6
N1		1.2722	1.5653	2.2067	2.2578	2.2578
C2	1.2722		1.4413	1.0829	2.2048	2.2048
C3	1.5653	1.4413		2.4448	1.0862	1.0862
H4	2.2067	1.0829	2.4448		3.1084	3.1084
H5	2.2578	2.2048	1.0862	3.1084		1.8431
H6	2.2578	2.2048	1.0862	3.1084	1.8431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	68.128	N1	C2	H4	139.930
N1	C3	C2	49.331	N1	C3	H5	116.848
N1	C3	H6	116.848	C2	N1	C3	62.541
C2	C3	N1	49.331	C2	C3	H5	120.983
C2	C3	H6	120.983	C3	C2	H4	151.942
H5	C3	H6	115.031

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

using model chemistry: G2

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: G2

States and conformations

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