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	hartrees
Energy at 0K	-169.499333
Energy at 298.15K	-169.503778
HF Energy	-168.877418
Nuclear repulsion energy	75.270281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3474	3244	0.80
2	A	3226	3013	20.17
3	A	3130	2923	26.57
4	A	1575	1470	1.80
5	A	1389	1297	26.29
6	A	1317	1230	33.17
7	A	1288	1203	12.99
8	A	1255	1172	1.03
9	A	1120	1046	8.70
10	A	995	929	17.37
11	A	952	889	31.22
12	A	818	764	4.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.697	-0.309	0.016
N2	-0.715	-0.463	-0.161
O3	-0.065	0.852	0.022
H4	1.147	-0.586	0.963
H5	1.302	-0.483	-0.865
H6	-1.110	-0.652	0.758

	C1	N2	O3	H4	H5	H6
C1		1.4314	1.3890	1.0844	1.0826	1.9836
N2	1.4314		1.4777	2.1785	2.1357	1.0187
O3	1.3890	1.4777		2.1033	2.1063	1.9737
H4	1.0844	2.1785	2.1033		1.8377	2.2673
H5	1.0826	2.1357	2.1063	1.8377		2.9120
H6	1.9836	1.0187	1.9737	2.2673	2.9120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.014	C1	N2	H6	106.907
C1	O3	N2	59.814	N2	C1	O3	63.172
N2	C1	H4	119.337	N2	C1	H5	115.622
O3	C1	H4	115.959	O3	C1	H5	116.353
O3	N2	H6	102.942	H4	C1	H5	116.004

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

using model chemistry: CCD/cc-pVTZ

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: CCD/cc-pVTZ

States and conformations

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