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	hartrees
Energy at 0K	-132.281573
Energy at 298.15K	-132.284634
HF Energy	-131.841200
Nuclear repulsion energy	63.440914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	3111	1.29
2	A'	3206	3003	16.83
3	A'	1682	1575	6.30
4	A'	1560	1461	0.09
5	A'	1333	1249	8.10
6	A'	1078	1010	0.25
7	A'	1032	966	44.17
8	A'	699	654	8.12
9	A"	3309	3099	21.93
10	A"	1149	1076	1.62
11	A"	1012	948	0.26
12	A"	792	742	14.38

Atom	x (Å)	y (Å)	z (Å)
N1	-0.868	-0.179	0.000
C2	0.000	0.753	0.000
C3	0.659	-0.530	0.000
H4	0.039	1.830	0.000
H5	1.040	-0.956	0.919
H6	1.040	-0.956	-0.919

	N1	C2	C3	H4	H5	H6
N1		1.2736	1.5663	2.2048	2.2556	2.2556
C2	1.2736		1.4424	1.0781	2.2014	2.2014
C3	1.5663	1.4424		2.4406	1.0820	1.0820
H4	2.2048	1.0781	2.4406		3.0999	3.0999
H5	2.2556	2.2014	1.0820	3.0999		1.8375
H6	2.2556	2.2014	1.0820	3.0999	1.8375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.122	N1	C2	H4	139.130
N1	C3	C2	49.878	N1	C3	H5	115.576
N1	C3	H6	115.576	C2	N1	C3	60.000
C2	C3	N1	49.878	C2	C3	H5	120.728
C2	C3	H6	120.728	C3	C2	H4	150.748
H5	C3	H6	116.228

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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