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	hartrees
Energy at 0K	-132.281392
Energy at 298.15K	-132.284017
HF Energy	-131.798582
Nuclear repulsion energy	62.673676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3332	3207
2	A'	3314	3190
3	A'	1715	1651
4	A'	1391	1339
5	A'	1079	1039
6	A'	880	847
7	A'	506	487
8	A"	3275	3152
9	A"	1176	1132
10	A"	950	914
11	A"	660	635
12	A"	531	511

Atom	x (Å)	y (Å)	z (Å)
N1	-0.033	0.906	0.000
C2	-0.033	-0.481	0.646
C3	-0.033	-0.481	-0.646
H4	0.942	1.232	0.000
H5	-0.155	-0.902	1.631
H6	-0.155	-0.902	-1.631

	N1	C2	C3	H4	H5	H6
N1		1.5296	1.5296	1.0278	2.4380	2.4380
C2	1.5296		1.2910	2.0735	1.0788	2.3185
C3	1.5296	1.2910		2.0735	2.3185	1.0788
H4	1.0278	2.0735	2.0735		2.9011	2.9011
H5	2.4380	1.0788	2.3185	2.9011		3.2624
H6	2.4380	2.3185	1.0788	2.9011	3.2624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	65.038	N1	C2	H5	137.683
N1	C3	C2	65.038	N1	C3	H6	137.683
C2	N1	C3	49.924	C2	N1	H4	106.697
C2	C3	H6	156.020	C3	N1	H4	106.697
C3	C2	H5	156.020

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

using model chemistry: CCSD(T)/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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