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	hartrees
Energy at 0K	-132.066062
Energy at 298.15K	-132.069081
HF Energy	-131.749812
Nuclear repulsion energy	62.344344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3295	3295	1.33
2	A'	3181	3181	8.28
3	A'	1706	1706	5.81
4	A'	1562	1562	0.16
5	A'	1287	1287	12.86
6	A'	1094	1094	11.00
7	A'	1017	1017	41.61
8	A'	634	634	5.96
9	A"	3280	3280	21.92
10	A"	1138	1138	1.11
11	A"	987	987	0.06
12	A"	787	787	26.54

Atom	x (Å)	y (Å)	z (Å)
N1	-0.893	-0.156	0.000
C2	0.000	0.760	0.000
C3	0.679	-0.557	0.000
H4	0.064	1.839	0.000
H5	1.057	-0.983	0.925
H6	1.057	-0.983	-0.925

	N1	C2	C3	H4	H5	H6
N1		1.2791	1.6227	2.2124	2.3114	2.3114
C2	1.2791		1.4811	1.0808	2.2382	2.2382
C3	1.6227	1.4811		2.4727	1.0861	1.0861
H4	2.2124	1.0808	2.4727		3.1308	3.1308
H5	2.3114	2.2382	1.0861	3.1308		1.8493
H6	2.3114	2.2382	1.0861	3.1308	1.8493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	71.590	N1	C2	H4	139.122
N1	C3	C2	48.410	N1	C3	H5	115.718
N1	C3	H6	115.718	C2	N1	C3	60.000
C2	C3	N1	48.410	C2	C3	H5	120.569
C2	C3	H6	120.569	C3	C2	H4	149.287
H5	C3	H6	116.712

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)