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	hartrees
Energy at 0K	-132.452207
Energy at 298.15K	-132.455223
HF Energy	-131.882453
Nuclear repulsion energy	63.400975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3225	3044
2	A'	3112	2937
3	A'	1635	1543
4	A'	1506	1421
5	A'	1287	1215
6	A'	1041	982
7	A'	993	937
8	A'	661	624
9	A"	3211	3030
10	A"	1109	1047
11	A"	983	928
12	A"	770	727

Atom	x (Å)	y (Å)	z (Å)
N1	-0.869	-0.173	0.000
C2	0.000	0.750	0.000
C3	0.662	-0.534	0.000
H4	0.033	1.831	0.000
H5	1.039	-0.960	0.924
H6	1.039	-0.960	-0.924

	N1	C2	C3	H4	H5	H6
N1		1.2678	1.5732	2.1980	2.2613	2.2613
C2	1.2678		1.4449	1.0817	2.2038	2.2038
C3	1.5732	1.4449		2.4476	1.0846	1.0846
H4	2.1980	1.0817	2.4476		3.1073	3.1073
H5	2.2613	2.2038	1.0846	3.1073		1.8470
H6	2.2613	2.2038	1.0846	3.1073	1.8470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.548	N1	C2	H4	138.492
N1	C3	C2	49.452	N1	C3	H5	115.371
N1	C3	H6	115.371	C2	N1	C3	60.000
C2	C3	N1	49.452	C2	C3	H5	120.546
C2	C3	H6	120.546	C3	C2	H4	150.961
H5	C3	H6	116.749

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

using model chemistry: MP4/6-311+G(3df,2p)

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: MP4/6-311+G(3df,2p)

States and conformations

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