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	hartrees
Energy at 0K	-169.052396
Energy at 298.15K	-169.056665
HF Energy	-168.700305
Nuclear repulsion energy	71.082389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3359	3191	6.99
2	A	3278	3114	18.96
3	A	3159	3001	13.61
4	A	1593	1513	0.52
5	A	1361	1293	18.92
6	A	1258	1195	5.08
7	A	1177	1118	19.91
8	A	1099	1044	13.39
9	A	1046	994	20.92
10	A	972	923	26.95
11	A	808	768	20.14
12	A	624	593	1.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.510	-0.602	0.022
N2	-0.896	-0.181	-0.155
O3	0.344	0.878	0.009
H4	0.840	-1.016	0.974
H5	0.968	-1.026	-0.866
H6	-1.349	-0.104	0.773

	C1	N2	O3	H4	H5	H6
C1		1.4784	1.4888	1.0894	1.0851	2.0660
N2	1.4784		1.6384	2.2326	2.1668	1.0358
O3	1.4888	1.6384		2.1821	2.1857	2.1007
H4	1.0894	2.2326	2.1821		1.8446	2.3792
H5	1.0851	2.1668	2.1857	1.8446		2.9843
H6	2.0660	1.0358	2.1007	2.3792	2.9843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.789	C1	N2	H6	109.249
C1	O3	N2	56.182	N2	C1	O3	67.029
N2	C1	H4	120.029	N2	C1	H5	114.528
O3	C1	H4	114.750	O3	C1	H5	115.350
O3	N2	H6	101.140	H4	C1	H5	116.043

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

using model chemistry: MP2=FULL/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=FULL/6-31G

States and conformations

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