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	hartrees
Energy at 0K	-169.328895
Energy at 298.15K	-169.333271
HF Energy	-168.805425
Nuclear repulsion energy	74.153245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3365	3267
2	A	3200	3106
3	A	3105	3014
4	A	1581	1535
5	A	1388	1348
6	A	1277	1240
7	A	1263	1226
8	A	1227	1191
9	A	1100	1067
10	A	983	954
11	A	917	891
12	A	725	704

Atom	x (Å)	y (Å)	z (Å)
C1	0.677	-0.358	0.017
N2	-0.754	-0.432	-0.161
O3	-0.001	0.874	0.019
H4	1.120	-0.663	0.970
H5	1.272	-0.583	-0.869
H6	-1.166	-0.572	0.774

	C1	N2	O3	H4	H5	H6
C1		1.4443	1.4062	1.0940	1.0913	2.0036
N2	1.4443		1.5179	2.2016	2.1520	1.0316
O3	1.4062	1.5179		2.1271	2.1288	2.0046
H4	1.0940	2.2016	2.1271		1.8472	2.2962
H5	1.0913	2.1520	2.1288	1.8472		2.9402
H6	2.0036	1.0316	2.0046	2.2962	2.9402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.616	C1	N2	H6	106.859
C1	O3	N2	59.052	N2	C1	O3	64.332
N2	C1	H4	119.671	N2	C1	H5	115.434
O3	C1	H4	116.032	O3	C1	H5	116.369
O3	N2	H6	101.984	H4	C1	H5	115.406

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/6-31G*

States and conformations

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