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	hartrees
Energy at 0K	-169.048904
Energy at 298.15K	-169.053173
HF Energy	-168.700259
Nuclear repulsion energy	71.073680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3359	3214	6.99
2	A	3277	3136	19.02
3	A	3158	3022	13.67
4	A	1593	1524	0.52
5	A	1361	1302	18.95
6	A	1257	1203	5.07
7	A	1177	1126	19.93
8	A	1099	1052	13.39
9	A	1046	1000	20.93
10	A	972	930	26.94
11	A	808	773	20.16
12	A	624	597	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	0.774

	C1	N2	O3	H4	H5	H6
C1		1.4786	1.4890	1.0896	1.0852	2.0662
N2	1.4786		1.6386	2.2329	2.1671	1.0359
O3	1.4890	1.6386		2.1823	2.1860	2.1009
H4	1.0896	2.2329	2.1823		1.8448	2.3795
H5	1.0852	2.1671	2.1860	1.8448		2.9846
H6	2.0662	1.0359	2.1009	2.3795	2.9846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.788	C1	N2	H6	109.247
C1	O3	N2	56.183	N2	C1	O3	67.029
N2	C1	H4	120.027	N2	C1	H5	114.526
O3	C1	H4	114.749	O3	C1	H5	115.348
O3	N2	H6	101.134	H4	C1	H5	116.047

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)