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	hartrees
Energy at 0K	-32.402928
Energy at 298.15K	-32.407369
HF Energy	-32.402928
Nuclear repulsion energy	41.878215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3745	3376	3.82
2	A	3482	3139	37.97
3	A	3361	3029	40.29
4	A	1666	1501	0.94
5	A	1412	1273	23.06
6	A	1367	1232	36.41
7	A	1329	1198	23.17
8	A	1324	1193	5.79
9	A	1164	1049	8.28
10	A	1050	946	31.33
11	A	875	789	45.72
12	A	812	732	6.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.731	-0.294	0.020
N2	-0.687	-0.510	-0.155
O3	-0.118	0.875	0.018
H4	1.196	-0.515	0.968
H5	1.338	-0.427	-0.857
H6	-1.166	-0.725	0.709

	C1	N2	O3	H4	H5	H6
C1		1.4449	1.4447	1.0785	1.0749	2.0632
N2	1.4449		1.5080	2.1927	2.1452	1.0110
O3	1.4447	1.5080		2.1351	2.1402	2.0341
H4	1.0785	2.1927	2.1351		1.8319	2.3853
H5	1.0749	2.1452	2.1402	1.8319		2.9683
H6	2.0632	1.0110	2.0341	2.3853	2.9683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	58.537	C1	N2	H6	113.115
C1	O3	N2	58.546	N2	C1	O3	62.918
N2	C1	H4	119.968	N2	C1	H5	115.948
O3	C1	H4	114.816	O3	C1	H5	115.513
O3	N2	H6	106.013	H4	C1	H5	116.579

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

using model chemistry: HF/CEP-31G

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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Number	Element	Mulliken
1	C	-0.093
2	N	-0.188
3	O	-0.343
4	H	0.167
5	H	0.186
6	H	0.271

	x	y	z	Total
	1.868	-2.357	2.020	3.623
CHELPG
AIM
ESP

	x	y	z
x	3.520	0.186	-0.099
y	0.186	3.094	-0.056
z	-0.099	-0.056	2.106

<r²>	29.859
(<r²>)^1/2	5.464

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

using model chemistry: HF/CEP-31G

States and conformations

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