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	hartrees
Energy at 0K	-169.398103
Energy at 298.15K	-169.402521
HF Energy	-168.854495
Nuclear repulsion energy	74.869256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3441	3283	2.71
2	A	3210	3063	29.88
3	A	3116	2973	29.80
4	A	1577	1504	3.16
5	A	1376	1313	21.00
6	A	1307	1247	32.18
7	A	1277	1219	9.77
8	A	1243	1186	1.77
9	A	1114	1063	9.97
10	A	988	943	17.65
11	A	933	890	30.30
12	A	772	737	4.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.692	-0.324	0.016
N2	-0.730	-0.451	-0.162
O3	-0.044	0.858	0.022
H4	1.139	-0.615	0.968
H5	1.295	-0.516	-0.869
H6	-1.127	-0.631	0.765

	C1	N2	O3	H4	H5	H6
C1		1.4386	1.3930	1.0907	1.0883	1.9909
N2	1.4386		1.4897	2.1897	2.1462	1.0244
O3	1.3930	1.4897		2.1130	2.1156	1.9860
H4	1.0907	2.1897	2.1130		1.8462	2.2749
H5	1.0883	2.1462	2.1156	1.8462		2.9244
H6	1.9909	1.0244	1.9860	2.2749	2.9244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.778	C1	N2	H6	106.660
C1	O3	N2	59.760	N2	C1	O3	63.462
N2	C1	H4	119.300	N2	C1	H5	115.583
O3	C1	H4	116.050	O3	C1	H5	116.455
O3	N2	H6	102.790	H4	C1	H5	115.829

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

using model chemistry: QCISD/6-311G**

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/6-311G**

States and conformations

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