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	hartrees
Energy at 0K	-132.450521
Energy at 298.15K	-132.453551
HF Energy	-131.884007
Nuclear repulsion energy	63.494647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3228	3147
2	A'	3121	3043
3	A'	1681	1639
4	A'	1513	1475
5	A'	1300	1267
6	A'	1047	1020
7	A'	998	973
8	A'	673	656
9	A"	3213	3132
10	A"	1109	1081
11	A"	982	958
12	A"	773	754

Atom	x (Å)	y (Å)	z (Å)
N1	-0.869	-0.169	0.000
C2	0.000	0.748	0.000
C3	0.661	-0.536	0.000
H4	0.041	1.827	0.000
H5	1.040	-0.959	0.922
H6	1.040	-0.959	-0.922

	N1	C2	C3	H4	H5	H6
N1		1.2634	1.5733	2.1940	2.2625	2.2625
C2	1.2634		1.4435	1.0803	2.2011	2.2011
C3	1.5733	1.4435		2.4428	1.0830	1.0830
H4	2.1940	1.0803	2.4428		3.1004	3.1004
H5	2.2625	2.2011	1.0830	3.1004		1.8435
H6	2.2625	2.2011	1.0830	3.1004	1.8435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.715	N1	C2	H4	138.696
N1	C3	C2	49.285	N1	C3	H5	115.572
N1	C3	H6	115.572	C2	N1	C3	60.000
C2	C3	N1	49.285	C2	C3	H5	120.533
C2	C3	H6	120.533	C3	C2	H4	150.589
H5	C3	H6	116.668

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

using model chemistry: CCSD(T)/cc-pVTZ

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)/cc-pVTZ

States and conformations

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