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	hartrees
Energy at 0K	-132.267423
Energy at 298.15K	-132.270058
HF Energy	-131.783913
Nuclear repulsion energy	62.247732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3360	3242
2	A'	3298	3183
3	A'	1712	1653
4	A'	1376	1328
5	A'	1066	1029
6	A'	865	835
7	A'	513	495
8	A"	3303	3188
9	A"	1156	1115
10	A"	950	917
11	A"	685	661
12	A"	521	503

Atom	x (Å)	y (Å)	z (Å)
N1	-0.037	0.913	0.000
C2	-0.037	-0.482	0.651
C3	-0.037	-0.482	-0.651
H4	0.955	1.215	0.000
H5	-0.124	-0.913	1.645
H6	-0.124	-0.913	-1.645

	N1	C2	C3	H4	H5	H6
N1		1.5391	1.5391	1.0375	2.4594	2.4594
C2	1.5391		1.3019	2.0704	1.0871	2.3377
C3	1.5391	1.3019		2.0704	2.3377	1.0871
H4	1.0375	2.0704	2.0704		2.8982	2.8982
H5	2.4594	1.0871	2.3377	2.8982		3.2897
H6	2.4594	2.3377	1.0871	2.8982	3.2897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	64.979	N1	C2	H5	138.293
N1	C3	C2	64.979	N1	C3	H6	138.293
C2	N1	C3	50.043	C2	N1	H4	105.276
C2	C3	H6	156.103	C3	N1	H4	105.276
C3	C2	H5	156.103

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

using model chemistry: MP4=FULL/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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