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	hartrees
Energy at 0K	-132.424368
Energy at 298.15K	-132.427451
HF Energy	-131.890527
Nuclear repulsion energy	63.959108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3280	0.43
2	A'	3166	3166	18.25
3	A'	1778	1778	9.22
4	A'	1545	1545	0.13
5	A'	1344	1344	9.04
6	A'	1080	1080	0.13
7	A'	1028	1028	50.57
8	A'	719	719	12.24
9	A"	3259	3259	15.70
10	A"	1138	1138	2.03
11	A"	1009	1009	0.25
12	A"	815	815	18.08

Atom	x (Å)	y (Å)	z (Å)
N1	-0.864	-0.163	0.000
C2	0.000	0.740	0.000
C3	0.655	-0.534	0.000
H4	0.044	1.816	0.000
H5	1.036	-0.955	0.918
H6	1.036	-0.955	-0.918

	N1	C2	C3	H4	H5	H6
N1		1.2500	1.5630	2.1778	2.2538	2.2538
C2	1.2500		1.4323	1.0768	2.1888	2.1888
C3	1.5630	1.4323		2.4279	1.0797	1.0797
H4	2.1778	1.0768	2.4279		3.0833	3.0833
H5	2.2538	2.1888	1.0797	3.0833		1.8358
H6	2.2538	2.1888	1.0797	3.0833	1.8358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.908	N1	C2	H4	138.645
N1	C3	C2	49.092	N1	C3	H5	115.840
N1	C3	H6	115.840	C2	N1	C3	60.000
C2	C3	N1	49.092	C2	C3	H5	120.577
C2	C3	H6	120.577	C3	C2	H4	150.447
H5	C3	H6	116.454

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

using model chemistry: MP3/Def2TZVPP

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/Def2TZVPP

States and conformations

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