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	hartrees
Energy at 0K	-132.308432
Energy at 298.15K	-132.311529
HF Energy	-131.843072
Nuclear repulsion energy	63.815184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3339	3339	1.16
2	A'	3215	3215	19.68
3	A'	1801	1801	8.70
4	A'	1585	1585	0.27
5	A'	1376	1376	8.37
6	A'	1103	1103	0.14
7	A'	1052	1052	44.57
8	A'	739	739	10.38
9	A"	3308	3308	26.49
10	A"	1157	1157	2.22
11	A"	1024	1024	0.11
12	A"	807	807	15.14

Atom	x (Å)	y (Å)	z (Å)
N1	-0.865	-0.170	0.000
C2	0.000	0.745	0.000
C3	0.654	-0.532	0.000
H4	0.047	1.820	0.000
H5	1.042	-0.956	0.915
H6	1.042	-0.956	-0.915

	N1	C2	C3	H4	H5	H6
N1		1.2587	1.5612	2.1886	2.2560	2.2560
C2	1.2587		1.4341	1.0759	2.1941	2.1941
C3	1.5612	1.4341		2.4282	1.0805	1.0805
H4	2.1886	1.0759	2.4282		3.0868	3.0868
H5	2.2560	2.1941	1.0805	3.0868		1.8299
H6	2.2560	2.1941	1.0805	3.0868	1.8299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.526	N1	C2	H4	139.120
N1	C3	C2	49.474	N1	C3	H5	116.111
N1	C3	H6	116.111	C2	N1	C3	60.000
C2	C3	N1	49.474	C2	C3	H5	120.864
C2	C3	H6	120.864	C3	C2	H4	150.355
H5	C3	H6	115.734

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G**

States and conformations

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