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	hartrees
Energy at 0K	-169.757502
Energy at 298.15K	-169.761948
HF Energy	-169.757502
Nuclear repulsion energy	75.464782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3436	3436	0.43
2	A	3194	3194	18.84
3	A	3095	3095	21.79
4	A	1554	1554	2.49
5	A	1385	1385	23.84
6	A	1336	1336	38.05
7	A	1272	1272	16.40
8	A	1208	1208	1.23
9	A	1100	1100	9.95
10	A	981	981	18.89
11	A	953	953	33.04
12	A	858	858	6.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.709	-0.288	0.016
N2	-0.699	-0.476	-0.162
O3	-0.094	0.843	0.023
H4	1.168	-0.550	0.967
H5	1.318	-0.441	-0.869
H6	-1.097	-0.688	0.755

	C1	N2	O3	H4	H5	H6
C1		1.4316	1.3868	1.0875	1.0855	1.9922
N2	1.4316		1.4625	2.1828	2.1376	1.0225
O3	1.3868	1.4625		2.1031	2.1069	1.9710
H4	1.0875	2.1828	2.1031		1.8451	2.2791
H5	1.0855	2.1376	2.1069	1.8451		2.9213
H6	1.9922	1.0225	1.9710	2.2791	2.9213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.254	C1	N2	H6	107.368
C1	O3	N2	60.251	N2	C1	O3	62.495
N2	C1	H4	119.485	N2	C1	H5	115.574
O3	C1	H4	115.890	O3	C1	H5	116.369
O3	N2	H6	103.541	H4	C1	H5	116.228

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

using model chemistry: M06-2X/6-311G**

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	0.008
2	N	-0.256
3	O	-0.264
4	H	0.135
5	H	0.146
6	H	0.232

	x	y	z	Total
	1.353	-1.646	1.527	2.621
CHELPG
AIM
ESP

	x	y	z
x	3.598	0.004	-0.117
y	0.004	2.791	-0.115
z	-0.117	-0.115	2.655

<r²>	32.916
(<r²>)^1/2	5.737

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

using model chemistry: M06-2X/6-311G**

States and conformations

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