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	hartrees
Energy at 0K	-132.260204
Energy at 298.15K	-132.262857
HF Energy	-131.779749
Nuclear repulsion energy	62.770698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3403	3227
2	A'	3352	3179
3	A'	1753	1663
4	A'	1393	1322
5	A'	1100	1043
6	A'	894	848
7	A'	507	481
8	A"	3347	3174
9	A"	1179	1118
10	A"	988	937
11	A"	668	633
12	A"	548	520

Atom	x (Å)	y (Å)	z (Å)
N1	-0.035	0.905	0.000
C2	-0.035	-0.479	0.645
C3	-0.035	-0.479	-0.645
H4	0.943	1.226	0.000
H5	-0.140	-0.906	1.624
H6	-0.140	-0.906	-1.624

	N1	C2	C3	H4	H5	H6
N1		1.5277	1.5277	1.0289	2.4352	2.4352
C2	1.5277		1.2900	2.0685	1.0733	2.3115
C3	1.5277	1.2900		2.0685	2.3115	1.0733
H4	1.0289	2.0685	2.0685		2.8902	2.8902
H5	2.4352	1.0733	2.3115	2.8902		3.2488
H6	2.4352	2.3115	1.0733	2.8902	3.2488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	65.026	N1	C2	H5	138.187
N1	C3	C2	65.026	N1	C3	H6	138.187
C2	N1	C3	49.947	C2	N1	H4	106.381
C2	C3	H6	155.854	C3	N1	H4	106.381
C3	C2	H5	155.854

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

using model chemistry: CCSD(T)/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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