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	hartrees
Energy at 0K	-169.074637
Energy at 298.15K	-169.078886
HF Energy	-168.736023
Nuclear repulsion energy	70.636109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3344	3220	10.80
2	A	3264	3144	19.59
3	A	3131	3016	31.11
4	A	1544	1487	0.15
5	A	1329	1280	17.57
6	A	1225	1180	8.67
7	A	1167	1124	17.02
8	A	1089	1049	10.89
9	A	1029	991	20.06
10	A	950	915	23.23
11	A	795	766	26.22
12	A	635	611	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.616	-0.516	0.021
N2	-0.859	-0.320	-0.157
O3	0.186	0.924	0.011
H4	1.007	-0.866	0.983
H5	1.141	-0.847	-0.876
H6	-1.325	-0.338	0.775

	C1	N2	O3	H4	H5	H6
C1		1.4985	1.5025	1.0957	1.0912	2.0905
N2	1.4985		1.6331	2.2535	2.1898	1.0425
O3	1.5025	1.6331		2.1957	2.1992	2.1115
H4	1.0957	2.2535	2.1957		1.8642	2.4006
H5	1.0912	2.1898	2.1992	1.8642		3.0119
H6	2.0905	1.0425	2.1115	2.4006	3.0119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.152	C1	N2	H6	109.405
C1	O3	N2	56.911	N2	C1	O3	65.936
N2	C1	H4	119.810	N2	C1	H5	114.558
O3	C1	H4	114.450	O3	C1	H5	115.047
O3	N2	H6	101.947	H4	C1	H5	116.955

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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