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	hartrees
Energy at 0K	-169.356154
Energy at 298.15K	-169.360525
HF Energy	-168.821024
Nuclear repulsion energy	74.113674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3377	3306
2	A	3189	3121
3	A	3093	3027
4	A	1541	1508
5	A	1363	1334
6	A	1270	1243
7	A	1246	1220
8	A	1215	1189
9	A	1084	1061
10	A	963	943
11	A	915	896
12	A	710	695

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	-0.353	0.016
N2	-0.758	-0.431	-0.163
O3	-0.003	0.871	0.020
H4	1.126	-0.669	0.973
H5	1.278	-0.581	-0.878
H6	-1.151	-0.577	0.784

	C1	N2	O3	H4	H5	H6
C1		1.4496	1.4008	1.1024	1.1002	1.9965
N2	1.4496		1.5161	2.2123	2.1631	1.0354
O3	1.4008	1.5161		2.1336	2.1336	1.9999
H4	1.1024	2.2123	2.1336		1.8592	2.2860
H5	1.1002	2.1631	2.1336	1.8592		2.9430
H6	1.9965	1.0354	1.9999	2.2860	2.9430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.319	C1	N2	H6	105.706
C1	O3	N2	59.440	N2	C1	O3	64.241
N2	C1	H4	119.584	N2	C1	H5	115.386
O3	C1	H4	116.434	O3	C1	H5	116.596
O3	N2	H6	101.554	H4	C1	H5	115.156

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

using model chemistry: CCSD(T)/cc-pVDZ

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(T)/cc-pVDZ

States and conformations

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