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	hartrees
Energy at 0K	-166.807582
Energy at 298.15K	-166.811947
HF Energy	-166.638159
Nuclear repulsion energy	72.108483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3548	3094	3.57
2	A	3467	3023	27.37
3	A	3387	2953	1.50
4	A	1665	1451	1.21
5	A	1464	1277	16.27
6	A	1339	1167	0.98
7	A	1314	1146	14.48
8	A	1234	1076	1.86
9	A	1114	971	5.47
10	A	1002	874	8.28
11	A	995	867	1.33
12	A	956	833	2.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.777	-0.239	0.012
N2	-0.698	-0.550	-0.173
O3	-0.182	0.865	0.028
H4	1.272	-0.492	0.972
H5	1.412	-0.347	-0.889
H6	-1.008	-0.802	0.835

	C1	N2	O3	H4	H5	H6
C1		1.5180	1.4630	1.1089	1.1075	2.0441
N2	1.5180		1.5193	2.2789	2.2373	1.0845
O3	1.4630	1.5193		2.2018	2.2026	2.0282
H4	1.1089	2.2789	2.2018		1.8710	2.3050
H5	1.1075	2.2373	2.2026	1.8710		3.0059
H6	2.0441	1.0845	2.0282	2.3050	3.0059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.588	C1	N2	H6	102.238
C1	O3	N2	61.163	N2	C1	O3	61.249
N2	C1	H4	119.529	N2	C1	H5	116.003
O3	C1	H4	117.093	O3	C1	H5	117.267
O3	N2	H6	101.007	H4	C1	H5	115.159

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

using model chemistry: MP2/STO-3G

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: MP2/STO-3G

States and conformations

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