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	hartrees
Energy at 0K	-132.308960
Energy at 298.15K	-132.311627
HF Energy	-131.807356
Nuclear repulsion energy	62.612994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3360	3258
2	A'	3335	3234
3	A'	1707	1655
4	A'	1367	1325
5	A'	1070	1038
6	A'	880	854
7	A'	533	517
8	A"	3301	3201
9	A"	1154	1119
10	A"	964	934
11	A"	702	681
12	A"	525	509

Atom	x (Å)	y (Å)	z (Å)
N1	-0.035	0.910	0.000
C2	-0.035	-0.482	0.646
C3	-0.035	-0.482	-0.646
H4	0.947	1.217	0.000
H5	-0.140	-0.903	1.631
H6	-0.140	-0.903	-1.631

	N1	C2	C3	H4	H5	H6
N1		1.5337	1.5337	1.0286	2.4406	2.4406
C2	1.5337		1.2912	2.0654	1.0770	2.3178
C3	1.5337	1.2912		2.0654	2.3178	1.0770
H4	1.0286	2.0654	2.0654		2.8871	2.8871
H5	2.4406	1.0770	2.3178	2.8871		3.2625
H6	2.4406	2.3178	1.0770	2.8871	3.2625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	65.106	N1	C2	H5	137.728
N1	C3	C2	65.106	N1	C3	H6	137.728
C2	N1	C3	49.788	C2	N1	H4	105.731
C2	C3	H6	156.233	C3	N1	H4	105.731
C3	C2	H5	156.233

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

using model chemistry: MP4/6-311G**

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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