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	hartrees
Energy at 0K	-169.424520
Energy at 298.15K	-169.428948
HF Energy	-168.828892
Nuclear repulsion energy	75.041766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3472	3283	0.33
2	A	3235	3059	20.86
3	A	3141	2969	23.38
4	A	1573	1487	2.48
5	A	1394	1318	27.82
6	A	1311	1239	31.86
7	A	1288	1218	11.38
8	A	1248	1180	1.57
9	A	1119	1058	9.91
10	A	995	941	16.97
11	A	946	895	26.52
12	A	791	748	4.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.693	-0.319	0.016
N2	-0.724	-0.455	-0.161
O3	-0.051	0.856	0.022
H4	1.143	-0.605	0.965
H5	1.296	-0.506	-0.868
H6	-1.121	-0.636	0.763

	C1	N2	O3	H4	H5	H6
C1		1.4355	1.3904	1.0879	1.0862	1.9880
N2	1.4355		1.4851	2.1860	2.1414	1.0224
O3	1.3904	1.4851		2.1093	2.1117	1.9804
H4	1.0879	2.1860	2.1093		1.8413	2.2737
H5	1.0862	2.1414	2.1117	1.8413		2.9193
H6	1.9880	1.0224	1.9804	2.2737	2.9193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.828	C1	N2	H6	106.755
C1	O3	N2	59.787	N2	C1	O3	63.384
N2	C1	H4	119.423	N2	C1	H5	115.546
O3	C1	H4	116.129	O3	C1	H5	116.465
O3	N2	H6	102.770	H4	C1	H5	115.751

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

using model chemistry: CCSD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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