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	hartrees
Energy at 0K	-169.284033
Energy at 298.15K	-169.288431
HF Energy	-168.806092
Nuclear repulsion energy	74.301221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3433	3237	1.01
2	A	3266	3080	25.04
3	A	3160	2980	23.03
4	A	1597	1506	2.66
5	A	1395	1316	26.63
6	A	1286	1213	27.83
7	A	1272	1199	11.83
8	A	1237	1166	2.87
9	A	1107	1044	14.71
10	A	992	935	18.30
11	A	928	875	25.48
12	A	760	717	2.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.685	-0.344	0.018
N2	-0.740	-0.448	-0.160
O3	-0.024	0.873	0.018
H4	1.134	-0.633	0.968
H5	1.280	-0.552	-0.868
H6	-1.147	-0.597	0.772

	C1	N2	O3	H4	H5	H6
C1		1.4403	1.4081	1.0901	1.0874	1.9977
N2	1.4403		1.5129	2.1956	2.1436	1.0282
O3	1.4081	1.5129		2.1238	2.1253	1.9972
H4	1.0901	2.1956	2.1238		1.8440	2.2900
H5	1.0874	2.1436	2.1253	1.8440		2.9302
H6	1.9977	1.0282	1.9972	2.2900	2.9302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.892	C1	N2	H6	106.868
C1	O3	N2	58.957	N2	C1	O3	64.151
N2	C1	H4	119.741	N2	C1	H5	115.285
O3	C1	H4	115.865	O3	C1	H5	116.187
O3	N2	H6	101.926	H4	C1	H5	115.735

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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