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	hartrees
Energy at 0K	-132.346656
Energy at 298.15K	-132.349633
HF Energy	-131.851618
Nuclear repulsion energy	62.633329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3246	3171
2	A'	3136	3064
3	A'	1666	1627
4	A'	1538	1503
5	A'	1309	1279
6	A'	1055	1030
7	A'	1012	988
8	A'	672	656
9	A"	3228	3153
10	A"	1130	1104
11	A"	991	968
12	A"	762	744

Atom	x (Å)	y (Å)	z (Å)
N1	-0.880	-0.174	0.000
C2	0.000	0.759	0.000
C3	0.671	-0.541	0.000
H4	0.037	1.852	0.000
H5	1.050	-0.971	0.934
H6	1.050	-0.971	-0.934

	N1	C2	C3	H4	H5	H6
N1		1.2832	1.5938	2.2244	2.2877	2.2877
C2	1.2832		1.4634	1.0935	2.2295	2.2295
C3	1.5938	1.4634		2.4760	1.0962	1.0962
H4	2.2244	1.0935	2.4760		3.1419	3.1419
H5	2.2877	2.2295	1.0962	3.1419		1.8686
H6	2.2877	2.2295	1.0962	3.1419	1.8686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.590	N1	C2	H4	138.621
N1	C3	C2	49.410	N1	C3	H5	115.273
N1	C3	H6	115.273	C2	N1	C3	60.000
C2	C3	N1	49.410	C2	C3	H5	120.478
C2	C3	H6	120.478	C3	C2	H4	150.789
H5	C3	H6	116.930

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

using model chemistry: MP4/aug-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: MP4/aug-cc-pVDZ

States and conformations

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