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	hartrees
Energy at 0K	-132.336778
Energy at 298.15K	-132.339837
HF Energy	-131.877776
Nuclear repulsion energy	63.575044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3121	1.02
2	A'	3172	3007	16.25
3	A'	1665	1578	5.71
4	A'	1539	1459	0.03
5	A'	1309	1241	8.89
6	A'	1075	1019	0.28
7	A'	1022	969	50.83
8	A'	674	639	9.71
9	A"	3275	3105	15.37
10	A"	1142	1082	1.70
11	A"	998	946	0.27
12	A"	817	774	17.50

Atom	x (Å)	y (Å)	z (Å)
N1	-0.867	-0.172	0.000
C2	0.000	0.748	0.000
C3	0.660	-0.533	0.000
H4	0.036	1.826	0.000
H5	1.035	-0.957	0.922
H6	1.035	-0.957	-0.922

	N1	C2	C3	H4	H5	H6
N1		1.2646	1.5689	2.1924	2.2543	2.2543
C2	1.2646		1.4410	1.0779	2.1973	2.1973
C3	1.5689	1.4410		2.4395	1.0816	1.0816
H4	2.1924	1.0779	2.4395		3.0967	3.0967
H5	2.2543	2.1973	1.0816	3.0967		1.8432
H6	2.2543	2.1973	1.0816	3.0967	1.8432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.538	N1	C2	H4	138.627
N1	C3	C2	49.462	N1	C3	H5	115.306
N1	C3	H6	115.306	C2	N1	C3	60.000
C2	C3	N1	49.462	C2	C3	H5	120.492
C2	C3	H6	120.492	C3	C2	H4	150.835
H5	C3	H6	116.874

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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