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	hartrees
Energy at 0K	-169.597578
Energy at 298.15K	-169.601971
HF Energy	-168.879095
Nuclear repulsion energy	74.802318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3427	3302
2	A	3194	3078
3	A	3118	3005
4	A	1560	1504
5	A	1364	1314
6	A	1274	1228
7	A	1255	1210
8	A	1231	1186
9	A	1101	1061
10	A	986	950
11	A	912	879
12	A	734	707

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	-0.348	0.017
N2	-0.742	-0.435	-0.160
O3	-0.014	0.865	0.020
H4	1.112	-0.642	0.965
H5	1.268	-0.555	-0.866
H6	-1.145	-0.588	0.765

	C1	N2	O3	H4	H5	H6
C1		1.4344	1.3969	1.0836	1.0817	1.9853
N2	1.4344		1.5010	2.1792	2.1339	1.0207
O3	1.3969	1.5010		2.1061	2.1084	1.9861
H4	1.0836	2.1792	2.1061		1.8401	2.2664
H5	1.0817	2.1339	2.1084	1.8401		2.9125
H6	1.9853	1.0207	1.9861	2.2664	2.9125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.781	C1	N2	H6	106.711
C1	O3	N2	59.209	N2	C1	O3	64.010
N2	C1	H4	119.213	N2	C1	H5	115.291
O3	C1	H4	115.641	O3	C1	H5	115.981
O3	N2	H6	102.243	H4	C1	H5	116.383

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

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

States and conformations

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