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	hartrees
Energy at 0K	-132.378351
Energy at 298.15K	-132.381380
HF Energy	-131.876899
Nuclear repulsion energy	63.328742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3257	3136
2	A'	3137	3020
3	A'	1646	1585
4	A'	1527	1471
5	A'	1292	1244
6	A'	1060	1020
7	A'	1008	971
8	A'	650	626
9	A"	3235	3115
10	A"	1126	1084
11	A"	984	948
12	A"	794	764

Atom	x (Å)	y (Å)	z (Å)
N1	-0.871	-0.170	0.000
C2	0.000	0.750	0.000
C3	0.664	-0.537	0.000
H4	0.039	1.830	0.000
H5	1.040	-0.963	0.923
H6	1.040	-0.963	-0.923

	N1	C2	C3	H4	H5	H6
N1		1.2673	1.5783	2.1971	2.2658	2.2658
C2	1.2673		1.4480	1.0803	2.2065	2.2065
C3	1.5783	1.4480		2.4478	1.0843	1.0843
H4	2.1971	1.0803	2.4478		3.1073	3.1073
H5	2.2658	2.2065	1.0843	3.1073		1.8467
H6	2.2658	2.2065	1.0843	3.1073	1.8467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.718	N1	C2	H4	138.602
N1	C3	C2	49.282	N1	C3	H5	115.386
N1	C3	H6	115.386	C2	N1	C3	60.000
C2	C3	N1	49.282	C2	C3	H5	120.551
C2	C3	H6	120.551	C3	C2	H4	150.680
H5	C3	H6	116.769

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

using model chemistry: MP4/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: MP4/TZVP

States and conformations

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