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	hartrees
Energy at 0K	-169.635258
Energy at 298.15K
HF Energy	-169.464146
Nuclear repulsion energy	74.436165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3452	3452	1.55
2	A	3235	3235	21.27
3	A	3133	3133	28.51
4	A	1570	1570	3.04
5	A	1353	1353	18.56
6	A	1275	1275	36.62
7	A	1256	1256	9.94
8	A	1231	1231	2.63
9	A	1096	1096	11.66
10	A	980	980	20.01
11	A	900	900	35.41
12	A	736	736	5.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.681	-0.350	0.018
N2	-0.743	-0.440	-0.160
O3	-0.015	0.871	0.018
H4	1.124	-0.639	0.968
H5	1.275	-0.560	-0.866
H6	-1.160	-0.587	0.764

	C1	N2	O3	H4	H5	H6
C1		1.4380	1.4057	1.0876	1.0853	2.0007
N2	1.4380		1.5099	2.1905	2.1414	1.0241
O3	1.4057	1.5099		2.1166	2.1197	1.9979
H4	1.0876	2.1905	2.1166		1.8424	2.2939
H5	1.0853	2.1414	2.1197	1.8424		2.9304
H6	2.0007	1.0241	1.9979	2.2939	2.9304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.897	C1	N2	H6	107.513
C1	O3	N2	58.974	N2	C1	O3	64.129
N2	C1	H4	119.647	N2	C1	H5	115.419
O3	C1	H4	115.595	O3	C1	H5	116.037
O3	N2	H6	102.380	H4	C1	H5	115.962

All results from a given calculation for CNOH₃ (1,2-oxaziridine)

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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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All results from a given calculation for CNOH3 (1,2-oxaziridine)

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

States and conformations

All results from a given calculation for CNOH₃ (1,2-oxaziridine)