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	hartrees
Energy at 0K	-132.268294
Energy at 298.15K	-132.271405
HF Energy	-131.863955
Nuclear repulsion energy	64.043365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3076	1.31
2	A'	3191	2965	22.30
3	A'	1812	1684	11.23
4	A'	1578	1466	0.25
5	A'	1384	1286	9.36
6	A'	1101	1023	0.05
7	A'	1054	979	60.06
8	A'	743	691	14.50
9	A"	3282	3050	25.43
10	A"	1162	1080	1.79
11	A"	1029	956	0.18
12	A"	830	771	18.85

Atom	x (Å)	y (Å)	z (Å)
N1	-0.861	-0.165	0.000
C2	0.000	0.740	0.000
C3	0.653	-0.531	0.000
H4	0.039	1.818	0.000
H5	1.035	-0.959	0.918
H6	1.035	-0.959	-0.918

	N1	C2	C3	H4	H5	H6
N1		1.2487	1.5576	2.1774	2.2512	2.2512
C2	1.2487		1.4284	1.0789	2.1906	2.1906
C3	1.5576	1.4284		2.4275	1.0825	1.0825
H4	2.1774	1.0789	2.4275		3.0894	3.0894
H5	2.2512	2.1906	1.0825	3.0894		1.8357
H6	2.2512	2.1906	1.0825	3.0894	1.8357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.792	N1	C2	H4	138.493
N1	C3	C2	49.208	N1	C3	H5	115.850
N1	C3	H6	115.850	C2	N1	C3	60.000
C2	C3	N1	49.208	C2	C3	H5	120.873
C2	C3	H6	120.873	C3	C2	H4	150.716
H5	C3	H6	115.973

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

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

States and conformations

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