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	hartrees
Energy at 0K	-169.319973
Energy at 298.15K	-169.324336
HF Energy	-168.804538
Nuclear repulsion energy	73.953055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3373	3220
2	A	3204	3059
3	A	3106	2966
4	A	1580	1509
5	A	1385	1322
6	A	1268	1211
7	A	1251	1195
8	A	1223	1167
9	A	1093	1044
10	A	977	933
11	A	910	869
12	A	709	677

Atom	x (Å)	y (Å)	z (Å)
C1	0.671	-0.370	0.018
N2	-0.763	-0.424	-0.161
O3	0.014	0.878	0.018
H4	1.111	-0.681	0.970
H5	1.261	-0.606	-0.870
H6	-1.174	-0.551	0.777

	C1	N2	O3	H4	H5	H6
C1		1.4457	1.4105	1.0944	1.0917	2.0033
N2	1.4457		1.5269	2.2035	2.1521	1.0317
O3	1.4105	1.5269		2.1312	2.1322	2.0082
H4	1.0944	2.2035	2.1312		1.8477	2.2968
H5	1.0917	2.1521	2.1322	1.8477		2.9401
H6	2.0033	1.0317	2.0082	2.2968	2.9401

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.577	C1	N2	H6	106.730
C1	O3	N2	58.807	N2	C1	O3	64.616
N2	C1	H4	119.702	N2	C1	H5	115.312
O3	C1	H4	116.029	O3	C1	H5	116.304
O3	N2	H6	101.664	H4	C1	H5	115.394

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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