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	hartrees
Energy at 0K	-168.165772
Energy at 298.15K	-168.170121
HF Energy	-167.848932
Nuclear repulsion energy	71.914035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3352	3132	6.31
2	A	3300	3083	16.24
3	A	3195	2986	9.80
4	A	1625	1519	1.07
5	A	1391	1300	27.45
6	A	1257	1175	28.15
7	A	1226	1146	2.02
8	A	1158	1082	7.23
9	A	1086	1015	11.84
10	A	993	928	19.74
11	A	781	730	11.48
12	A	770	720	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.719	-0.354	0.019
N2	-0.755	-0.482	-0.158
O3	-0.039	0.913	0.014
H4	1.167	-0.627	0.966
H5	1.298	-0.564	-0.867
H6	-1.177	-0.617	0.776

	C1	N2	O3	H4	H5	H6
C1		1.4901	1.4763	1.0829	1.0794	2.0577
N2	1.4901		1.5775	2.2317	2.1744	1.0329
O3	1.4763	1.5775		2.1752	2.1786	2.0534
H4	1.0829	2.2317	2.1752		1.8391	2.3514
H5	1.0794	2.1744	2.1786	1.8391		2.9710
H6	2.0577	1.0329	2.0534	2.3514	2.9710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.449	C1	N2	H6	107.910
C1	O3	N2	58.301	N2	C1	O3	64.250
N2	C1	H4	119.454	N2	C1	H5	114.665
O3	C1	H4	115.553	O3	C1	H5	116.090
O3	N2	H6	101.703	H4	C1	H5	116.534

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

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

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