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	hartrees
Energy at 0K	-132.295040
Energy at 298.15K	-132.298063
HF Energy	-131.835301
Nuclear repulsion energy	63.237960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3242	3119
2	A'	3131	3012
3	A'	1702	1637
4	A'	1541	1483
5	A'	1321	1271
6	A'	1058	1018
7	A'	1015	976
8	A'	684	658
9	A"	3219	3097
10	A"	1128	1085
11	A"	989	952
12	A"	760	732

Atom	x (Å)	y (Å)	z (Å)
N1	-0.871	-0.174	0.000
C2	0.000	0.752	0.000
C3	0.661	-0.535	0.000
H4	0.041	1.839	0.000
H5	1.047	-0.965	0.924
H6	1.047	-0.965	-0.924

	N1	C2	C3	H4	H5	H6
N1		1.2715	1.5740	2.2092	2.2720	2.2720
C2	1.2715		1.4467	1.0870	2.2138	2.2138
C3	1.5740	1.4467		2.4529	1.0905	1.0905
H4	2.2092	1.0870	2.4529		3.1191	3.1191
H5	2.2720	2.2138	1.0905	3.1191		1.8487
H6	2.2720	2.2138	1.0905	3.1191	1.8487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.432	N1	C2	H4	138.882
N1	C3	C2	49.568	N1	C3	H5	115.823
N1	C3	H6	115.823	C2	N1	C3	60.000
C2	C3	N1	49.568	C2	C3	H5	120.869
C2	C3	H6	120.869	C3	C2	H4	150.686
H5	C3	H6	115.913

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

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