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	hartrees
Energy at 0K	-169.682734
Energy at 298.15K
HF Energy	-168.889547
Nuclear repulsion energy	74.863159

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	-0.345	0.017
N2	-0.739	-0.438	-0.160
O3	-0.018	0.864	0.020
H4	1.115	-0.638	0.966
H5	1.272	-0.550	-0.866
H6	-1.144	-0.593	0.762

	C1	N2	O3	H4	H5	H6
C1		1.4328	1.3957	1.0843	1.0825	1.9860
N2	1.4328		1.4988	2.1788	2.1339	1.0197
O3	1.3957	1.4988		2.1060	2.1089	1.9856
H4	1.0843	2.1788	2.1060		1.8401	2.2693
H5	1.0825	2.1339	2.1089	1.8401		2.9137
H6	1.9860	1.0197	1.9856	2.2693	2.9137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.808	C1	N2	H6	106.942
C1	O3	N2	59.214	N2	C1	O3	63.978
N2	C1	H4	119.257	N2	C1	H5	115.361
O3	C1	H4	115.676	O3	C1	H5	116.061
O3	N2	H6	102.407	H4	C1	H5	116.254

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

using model chemistry: QCISD(T)=FULL/aug-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: QCISD(T)=FULL/aug-cc-pVQZ

States and conformations

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