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	hartrees
Energy at 0K	-132.469229
Energy at 298.15K	-132.472277
HF Energy	-131.889187
Nuclear repulsion energy	63.721047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3271	0.52
2	A'	3166	3166	15.21
3	A'	1655	1655	5.27
4	A'	1527	1527	0.25
5	A'	1300	1300	8.19
6	A'	1054	1054	0.63
7	A'	1007	1007	50.64
8	A'	685	685	9.94
9	A"	3268	3268	10.95
10	A"	1133	1133	1.56
11	A"	1000	1000	0.64
12	A"	798	798	17.36

Atom	x (Å)	y (Å)	z (Å)
N1	-0.865	-0.174	0.000
C2	0.000	0.747	0.000
C3	0.659	-0.531	0.000
H4	0.035	1.822	0.000
H5	1.032	-0.952	0.919
H6	1.032	-0.952	-0.919

	N1	C2	C3	H4	H5	H6
N1		1.2630	1.5646	2.1890	2.2468	2.2468
C2	1.2630		1.4377	1.0756	2.1900	2.1900
C3	1.5646	1.4377		2.4343	1.0778	1.0778
H4	2.1890	1.0756	2.4343		3.0877	3.0877
H5	2.2468	2.1900	1.0778	3.0877		1.8385
H6	2.2468	2.1900	1.0778	3.0877	1.8385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.466	N1	C2	H4	138.648
N1	C3	C2	49.534	N1	C3	H5	115.248
N1	C3	H6	115.248	C2	N1	C3	60.000
C2	C3	N1	49.534	C2	C3	H5	120.383
C2	C3	H6	120.383	C3	C2	H4	150.886
H5	C3	H6	117.065

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

using model chemistry: MP2=FULL/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: MP2=FULL/Def2TZVPP

States and conformations

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