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	hartrees
Energy at 0K	-169.059001
Energy at 298.15K	-169.063308
HF Energy	-168.703447
Nuclear repulsion energy	71.762765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3361	3225	6.82
2	A	3234	3103	19.25
3	A	3127	3000	11.15
4	A	1577	1513	0.32
5	A	1364	1309	22.33
6	A	1251	1200	11.16
7	A	1206	1157	16.65
8	A	1148	1102	12.36
9	A	1065	1022	14.43
10	A	983	943	23.93
11	A	819	786	19.25
12	A	665	638	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.645	-0.456	0.021
N2	-0.815	-0.376	-0.157
O3	0.106	0.918	0.013
H4	1.064	-0.782	0.976
H5	1.202	-0.747	-0.868
H6	-1.287	-0.444	0.761

	C1	N2	O3	H4	H5	H6
C1		1.4728	1.4760	1.0922	1.0882	2.0691
N2	1.4728		1.5973	2.2304	2.1706	1.0343
O3	1.4760	1.5973		2.1752	2.1796	2.0869
H4	1.0922	2.2304	2.1752		1.8487	2.3844
H5	1.0882	2.1706	2.1796	1.8487		2.9901
H6	2.0691	1.0343	2.0869	2.3844	2.9901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.301	C1	N2	H6	110.007
C1	O3	N2	57.105	N2	C1	O3	65.593
N2	C1	H4	120.088	N2	C1	H5	115.067
O3	C1	H4	114.949	O3	C1	H5	115.589
O3	N2	H6	102.836	H4	C1	H5	115.960

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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