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	hartrees
Energy at 0K	-132.426810
Energy at 298.15K	-132.429835
HF Energy	-131.866468
Nuclear repulsion energy	63.185629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3239	3115
2	A'	3127	3007
3	A'	1642	1579
4	A'	1515	1456
5	A'	1296	1246
6	A'	1044	1004
7	A'	999	961
8	A'	660	635
9	A"	3223	3099
10	A"	1118	1075
11	A"	985	948
12	A"	782	751

Atom	x (Å)	y (Å)	z (Å)
N1	-0.872	-0.173	0.000
C2	0.000	0.753	0.000
C3	0.664	-0.536	0.000
H4	0.036	1.837	0.000
H5	1.043	-0.964	0.926
H6	1.043	-0.964	-0.926

	N1	C2	C3	H4	H5	H6
N1		1.2719	1.5790	2.2051	2.2697	2.2697
C2	1.2719		1.4501	1.0844	2.2117	2.2117
C3	1.5790	1.4501		2.4545	1.0880	1.0880
H4	2.2051	1.0844	2.4545		3.1166	3.1166
H5	2.2697	2.2117	1.0880	3.1166		1.8520
H6	2.2697	2.2117	1.0880	3.1166	1.8520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.570	N1	C2	H4	138.595
N1	C3	C2	49.430	N1	C3	H5	115.418
N1	C3	H6	115.418	C2	N1	C3	60.000
C2	C3	N1	49.430	C2	C3	H5	120.582
C2	C3	H6	120.582	C3	C2	H4	150.835
H5	C3	H6	116.667

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

using model chemistry: MP4=FULL/6-311G**

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=FULL/6-311G**

States and conformations

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