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	hartrees
Energy at 0K	-132.165501
Energy at 298.15K	-132.168353
HF Energy	-131.774665
Nuclear repulsion energy	63.513295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3472	3207	2.09
2	A'	3436	3174	28.42
3	A'	1872	1730	4.52
4	A'	1449	1339	17.73
5	A'	1156	1068	5.53
6	A'	956	883	22.76
7	A'	598	553	81.61
8	A"	3409	3149	10.50
9	A"	1227	1134	43.19
10	A"	1034	955	15.42
11	A"	775	715	6.25
12	A"	655	605	3.61

Atom	x (Å)	y (Å)	z (Å)
N1	-0.036	0.891	0.000
C2	-0.036	-0.474	0.635
C3	-0.036	-0.474	-0.635
H4	0.928	1.235	0.000
H5	-0.126	-0.891	1.619
H6	-0.126	-0.891	-1.619

	N1	C2	C3	H4	H5	H6
N1		1.5055	1.5055	1.0234	2.4090	2.4090
C2	1.5055		1.2709	2.0621	1.0720	2.2944
C3	1.5055	1.2709		2.0621	2.2944	1.0720
H4	1.0234	2.0621	2.0621		2.8723	2.8723
H5	2.4090	1.0720	2.2944	2.8723		3.2378
H6	2.4090	2.2944	1.0720	2.8723	3.2378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	65.033	N1	C2	H5	137.708
N1	C3	C2	65.033	N1	C3	H6	137.708
C2	N1	C3	49.935	C2	N1	H4	107.729
C2	C3	H6	156.553	C3	N1	H4	107.729
C3	C2	H5	156.553

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

using model chemistry: CID/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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