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	hartrees
Energy at 0K	-169.323945
Energy at 298.15K	-169.328381
HF Energy	-168.814782
Nuclear repulsion energy	74.809414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3498	3280	2.09
2	A	3273	3068	29.38
3	A	3174	2976	25.90
4	A	1610	1510	4.47
5	A	1398	1311	26.04
6	A	1322	1239	28.89
7	A	1297	1216	11.82
8	A	1262	1183	1.65
9	A	1124	1053	11.51
10	A	1003	941	18.38
11	A	957	898	27.38
12	A	802	752	3.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.695	-0.319	0.017
N2	-0.723	-0.462	-0.161
O3	-0.055	0.861	0.021
H4	1.150	-0.600	0.962
H5	1.300	-0.504	-0.863
H6	-1.123	-0.639	0.764

	C1	N2	O3	H4	H5	H6
C1		1.4367	1.3983	1.0860	1.0838	1.9918
N2	1.4367		1.4931	2.1884	2.1425	1.0226
O3	1.3983	1.4931		2.1149	2.1171	1.9856
H4	1.0860	2.1884	2.1149		1.8338	2.2824
H5	1.0838	2.1425	2.1171	1.8338		2.9221
H6	1.9918	1.0226	1.9856	2.2824	2.9221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.978	C1	N2	H6	106.969
C1	O3	N2	59.479	N2	C1	O3	63.544
N2	C1	H4	119.694	N2	C1	H5	115.721
O3	C1	H4	116.144	O3	C1	H5	116.489
O3	N2	H6	102.630	H4	C1	H5	115.376

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

using model chemistry: CCD/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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All results from a given calculation for CNOH3 (1,2-oxaziridine)

using model chemistry: CCD/6-31G**

States and conformations

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