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	hartrees
Energy at 0K	-132.326433
Energy at 298.15K	-132.329483
HF Energy	-131.867105
Nuclear repulsion energy	63.363028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3107	0.96
2	A'	3157	2999	16.32
3	A'	1656	1574	5.04
4	A'	1525	1449	0.10
5	A'	1308	1243	9.22
6	A'	1055	1003	0.17
7	A'	1010	960	52.48
8	A'	682	648	8.40
9	A"	3259	3097	18.80
10	A"	1132	1076	1.75
11	A"	997	947	0.59
12	A"	800	760	17.11

Atom	x (Å)	y (Å)	z (Å)
N1	-0.869	-0.175	0.000
C2	0.000	0.752	0.000
C3	0.662	-0.533	0.000
H4	0.034	1.833	0.000
H5	1.038	-0.959	0.924
H6	1.038	-0.959	-0.924

	N1	C2	C3	H4	H5	H6
N1		1.2703	1.5724	2.2017	2.2600	2.2600
C2	1.2703		1.4453	1.0819	2.2044	2.2044
C3	1.5724	1.4453		2.4479	1.0852	1.0852
H4	2.2017	1.0819	2.4479		3.1078	3.1078
H5	2.2600	2.2044	1.0852	3.1078		1.8490
H6	2.2600	2.2044	1.0852	3.1078	1.8490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.431	N1	C2	H4	138.646
N1	C3	C2	49.569	N1	C3	H5	115.280
N1	C3	H6	115.280	C2	N1	C3	60.000
C2	C3	N1	49.569	C2	C3	H5	120.516
C2	C3	H6	120.516	C3	C2	H4	150.924
H5	C3	H6	116.830

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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