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	hartrees
Energy at 0K	-169.395689
Energy at 298.15K	-169.400082
HF Energy	-168.868172
Nuclear repulsion energy	74.558324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3462	3281	1.41
2	A	3257	3088	20.50
3	A	3149	2985	25.10
4	A	1579	1496	1.73
5	A	1345	1275	15.48
6	A	1276	1210	23.42
7	A	1251	1186	14.98
8	A	1240	1176	6.71
9	A	1102	1044	14.05
10	A	989	938	19.28
11	A	908	860	32.53
12	A	738	700	2.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.675	-0.357	0.017
N2	-0.750	-0.429	-0.160
O3	-0.002	0.869	0.019
H4	1.107	-0.657	0.967
H5	1.263	-0.574	-0.867
H6	-1.152	-0.573	0.769

	C1	N2	O3	H4	H5	H6
C1		1.4378	1.4013	1.0855	1.0830	1.9876
N2	1.4378		1.5094	2.1842	2.1379	1.0229
O3	1.4013	1.5094		2.1112	2.1137	1.9913
H4	1.0855	2.1842	2.1112		1.8418	2.2694
H5	1.0830	2.1379	2.1137	1.8418		2.9166
H6	1.9876	1.0229	1.9913	2.2694	2.9166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.718	C1	N2	H6	106.534
C1	O3	N2	59.064	N2	C1	O3	64.218
N2	C1	H4	119.254	N2	C1	H5	115.290
O3	C1	H4	115.611	O3	C1	H5	116.010
O3	N2	H6	101.975	H4	C1	H5	116.277

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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