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	hartrees
Energy at 0K	-169.643173
Energy at 298.15K
HF Energy	-168.890412
Nuclear repulsion energy	75.472753

Atom	x (Å)	y (Å)	z (Å)
C1	0.689	-0.318	0.017
N2	-0.718	-0.453	-0.161
O3	-0.051	0.852	0.021
H4	1.132	-0.600	0.962
H5	1.290	-0.501	-0.861
H6	-1.123	-0.633	0.753

	C1	N2	O3	H4	H5	H6
C1		1.4244	1.3847	1.0814	1.0797	1.9806
N2	1.4244		1.4772	2.1692	2.1272	1.0153
O3	1.3847	1.4772		2.0961	2.0994	1.9723
H4	1.0814	2.1692	2.0961		1.8329	2.2650
H5	1.0797	2.1272	2.0994	1.8329		2.9060
H6	1.9806	1.0153	1.9723	2.2650	2.9060

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.975	C1	N2	H6	107.365
C1	O3	N2	59.593	N2	C1	O3	63.432
N2	C1	H4	119.291	N2	C1	H5	115.634
O3	C1	H4	115.865	O3	C1	H5	116.290
O3	N2	H6	103.047	H4	C1	H5	116.019

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

using model chemistry: CCSD=FULL/cc-pVQZ

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: CCSD=FULL/cc-pVQZ

States and conformations

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