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	hartrees
Energy at 0K	-132.396488
Energy at 298.15K	-132.399580
HF Energy	-131.869065
Nuclear repulsion energy	63.743262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3286	3286	0.76
2	A'	3165	3165	18.76
3	A'	1782	1782	8.03
4	A'	1548	1548	0.06
5	A'	1356	1356	9.22
6	A'	1083	1083	0.08
7	A'	1033	1033	51.96
8	A'	725	725	10.97
9	A"	3256	3256	23.48
10	A"	1142	1142	2.35
11	A"	1010	1010	0.23
12	A"	817	817	17.69

Atom	x (Å)	y (Å)	z (Å)
N1	-0.866	-0.165	0.000
C2	0.000	0.743	0.000
C3	0.656	-0.535	0.000
H4	0.044	1.823	0.000
H5	1.041	-0.959	0.922
H6	1.041	-0.959	-0.922

	N1	C2	C3	H4	H5	H6
N1		1.2549	1.5666	2.1865	2.2618	2.2618
C2	1.2549		1.4363	1.0808	2.1978	2.1978
C3	1.5666	1.4363		2.4357	1.0851	1.0851
H4	2.1865	1.0808	2.4357		3.0957	3.0957
H5	2.2618	2.1978	1.0851	3.0957		1.8431
H6	2.2618	2.1978	1.0851	3.0957	1.8431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.832	N1	C2	H4	138.704
N1	C3	C2	49.168	N1	C3	H5	115.883
N1	C3	H6	115.883	C2	N1	C3	60.000
C2	C3	N1	49.168	C2	C3	H5	120.672
C2	C3	H6	120.672	C3	C2	H4	150.464
H5	C3	H6	116.263

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-311G**

States and conformations

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