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	hartrees
Energy at 0K	-132.260827
Energy at 298.15K	-132.263456
HF Energy	-131.783625
Nuclear repulsion energy	62.193482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3354	3243
2	A'	3293	3184
3	A'	1710	1653
4	A'	1374	1329
5	A'	1064	1029
6	A'	864	835
7	A'	510	493
8	A"	3297	3188
9	A"	1154	1115
10	A"	950	918
11	A"	682	659
12	A"	520	503

Atom	x (Å)	y (Å)	z (Å)
N1	-0.037	0.914	0.000
C2	-0.037	-0.482	0.651
C3	-0.037	-0.482	-0.651
H4	0.956	1.215	0.000
H5	-0.124	-0.915	1.646
H6	-0.124	-0.915	-1.646

	N1	C2	C3	H4	H5	H6
N1		1.5406	1.5406	1.0384	2.4619	2.4619
C2	1.5406		1.3028	2.0719	1.0880	2.3392
C3	1.5406	1.3028		2.0719	2.3392	1.0880
H4	1.0384	2.0719	2.0719		2.9006	2.9006
H5	2.4619	1.0880	2.3392	2.9006		3.2916
H6	2.4619	2.3392	1.0880	2.9006	3.2916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	64.987	N1	C2	H5	138.322
N1	C3	C2	64.987	N1	C3	H6	138.322
C2	N1	C3	50.025	C2	N1	H4	105.242
C2	C3	H6	156.068	C3	N1	H4	105.242
C3	C2	H5	156.068

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

using model chemistry: MP4/cc-pVDZ

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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