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	hartrees
Energy at 0K	-168.194746
Energy at 298.15K	-168.199063
HF Energy	-167.846807
Nuclear repulsion energy	71.380864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3248	3107	27.28
2	A	3226	3086	1.68
3	A	3133	2996	9.09
4	A	1597	1527	0.70
5	A	1374	1314	25.34
6	A	1226	1173	26.58
7	A	1202	1149	2.62
8	A	1117	1069	3.66
9	A	1062	1016	13.38
10	A	970	928	18.11
11	A	776	742	9.34
12	A	741	709	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.715	-0.372	0.018
N2	-0.776	-0.468	-0.159
O3	-0.015	0.920	0.014
H4	1.161	-0.659	0.969
H5	1.289	-0.599	-0.874
H6	-1.187	-0.592	0.790

	C1	N2	O3	H4	H5	H6
C1		1.5051	1.4841	1.0883	1.0848	2.0643
N2	1.5051		1.5921	2.2498	2.1897	1.0410
O3	1.4841	1.5921		2.1877	2.1899	2.0642
H4	1.0883	2.2498	2.1877		1.8484	2.3555
H5	1.0848	2.1897	2.1899	1.8484		2.9830
H6	2.0643	1.0410	2.0642	2.3555	2.9830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.182	C1	N2	H6	106.921
C1	O3	N2	58.459	N2	C1	O3	64.359
N2	C1	H4	119.471	N2	C1	H5	114.471
O3	C1	H4	115.658	O3	C1	H5	116.091
O3	N2	H6	101.174	H4	C1	H5	116.544

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

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

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