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	hartrees
Energy at 0K	-169.362524
Energy at 298.15K	-169.366897
HF Energy	-168.821251
Nuclear repulsion energy	74.164781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3382	3258
2	A	3195	3077
3	A	3099	2985
4	A	1543	1486
5	A	1364	1314
6	A	1272	1226
7	A	1248	1202
8	A	1217	1173
9	A	1086	1046
10	A	965	929
11	A	918	884
12	A	710	684

Atom	x (Å)	y (Å)	z (Å)
C1	0.678	-0.354	0.016
N2	-0.758	-0.430	-0.162
O3	-0.002	0.870	0.020
H4	1.124	-0.670	0.972
H5	1.277	-0.582	-0.877
H6	-1.151	-0.576	0.783

	C1	N2	O3	H4	H5	H6
C1		1.4483	1.3998	1.1014	1.0992	1.9953
N2	1.4483		1.5153	2.2104	2.1613	1.0346
O3	1.3998	1.5153		2.1321	2.1321	1.9989
H4	1.1014	2.2104	2.1321		1.8574	2.2848
H5	1.0992	2.1613	2.1321	1.8574		2.9409
H6	1.9953	1.0346	1.9989	2.2848	2.9409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.318	C1	N2	H6	105.741
C1	O3	N2	59.423	N2	C1	O3	64.260
N2	C1	H4	119.587	N2	C1	H5	115.394
O3	C1	H4	116.439	O3	C1	H5	116.604
O3	N2	H6	101.573	H4	C1	H5	115.133

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

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

States and conformations

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