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	hartrees
Energy at 0K	-132.395189
Energy at 298.15K	-132.397887
HF Energy	-131.825493
Nuclear repulsion energy	62.981720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3355	3200
2	A'	3351	3196
3	A'	1726	1646
4	A'	1361	1298
5	A'	1066	1016
6	A'	884	843
7	A'	531	506
8	A"	3294	3142
9	A"	1153	1100
10	A"	973	928
11	A"	714	681
12	A"	562	536

Atom	x (Å)	y (Å)	z (Å)
N1	-0.036	0.902	0.000
C2	-0.036	-0.479	0.641
C3	-0.036	-0.479	-0.641
H4	0.934	1.232	0.000
H5	-0.126	-0.898	1.626
H6	-0.126	-0.898	-1.626

	N1	C2	C3	H4	H5	H6
N1		1.5222	1.5222	1.0249	2.4269	2.4269
C2	1.5222		1.2830	2.0687	1.0737	2.3077
C3	1.5222	1.2830		2.0687	2.3077	1.0737
H4	1.0249	2.0687	2.0687		2.8814	2.8814
H5	2.4269	1.0737	2.3077	2.8814		3.2522
H6	2.4269	2.3077	1.0737	2.8814	3.2522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	65.076	N1	C2	H5	137.746
N1	C3	C2	65.076	N1	C3	H6	137.746
C2	N1	C3	49.848	C2	N1	H4	106.990
C2	C3	H6	156.492	C3	N1	H4	106.990
C3	C2	H5	156.492

All results from a given calculation for CHNHCH (1H-Azirine)

using model chemistry: QCISD(T)/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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