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	hartrees
Energy at 0K	-132.517830
Energy at 298.15K	-132.520871
HF Energy	-131.883821
Nuclear repulsion energy	63.697195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3241	3241
2	A'	3122	3122
3	A'	1692	1692
4	A'	1517	1517
5	A'	1314	1314
6	A'	1055	1055
7	A'	1005	1005
8	A'	684	684
9	A"	3216	3216
10	A"	1113	1113
11	A"	990	990
12	A"	780	780

Atom	x (Å)	y (Å)	z (Å)
N1	-0.865	-0.170	0.000
C2	0.000	0.746	0.000
C3	0.657	-0.532	0.000
H4	0.036	1.825	0.000
H5	1.038	-0.958	0.920
H6	1.038	-0.958	-0.920

	N1	C2	C3	H4	H5	H6
N1		1.2600	1.5652	2.1891	2.2560	2.2560
C2	1.2600		1.4371	1.0796	2.1968	2.1968
C3	1.5652	1.4371		2.4374	1.0830	1.0830
H4	2.1891	1.0796	2.4374		3.0971	3.0971
H5	2.2560	2.1968	1.0830	3.0971		1.8407
H6	2.2560	2.1968	1.0830	3.0971	1.8407

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.597	N1	C2	H4	138.548
N1	C3	C2	49.403	N1	C3	H5	115.635
N1	C3	H6	115.635	C2	N1	C3	60.000
C2	C3	N1	49.403	C2	C3	H5	120.667
C2	C3	H6	120.667	C3	C2	H4	150.855
H5	C3	H6	116.392

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

using model chemistry: CCSD(T)=FULL/6-311+G(3df,2p)

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: CCSD(T)=FULL/6-311+G(3df,2p)

States and conformations

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