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	hartrees
Energy at 0K	-169.329744
Energy at 298.15K	-169.334155
HF Energy	-168.813951
Nuclear repulsion energy	74.559511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3472	3269	3.21
2	A	3257	3066	32.10
3	A	3160	2975	29.49
4	A	1605	1511	5.23
5	A	1389	1308	25.29
6	A	1303	1227	30.65
7	A	1282	1207	8.45
8	A	1250	1177	2.26
9	A	1115	1050	11.61
10	A	994	936	18.02
11	A	935	880	26.88
12	A	764	719	4.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.687	-0.336	0.017
N2	-0.736	-0.450	-0.161
O3	-0.032	0.867	0.019
H4	1.136	-0.627	0.963
H5	1.288	-0.539	-0.863
H6	-1.139	-0.609	0.767

	C1	N2	O3	H4	H5	H6
C1		1.4391	1.4017	1.0868	1.0846	1.9937
N2	1.4391		1.5045	2.1903	2.1446	1.0240
O3	1.4017	1.5045		2.1184	2.1211	1.9916
H4	1.0868	2.1903	2.1184		1.8345	2.2836
H5	1.0846	2.1446	2.1211	1.8345		2.9249
H6	1.9937	1.0240	1.9916	2.2836	2.9249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.822	C1	N2	H6	106.876
C1	O3	N2	59.235	N2	C1	O3	63.943
N2	C1	H4	119.603	N2	C1	H5	115.663
O3	C1	H4	116.126	O3	C1	H5	116.522
O3	N2	H6	102.263	H4	C1	H5	115.308

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

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

States and conformations

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