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	hartrees
Energy at 0K	-168.709214
Energy at 298.15K	-168.713653
HF Energy	-168.709214
Nuclear repulsion energy	74.239027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3729	3367	7.07
2	A	3453	3118	17.39
3	A	3336	3012	11.98
4	A	1691	1527	0.77
5	A	1436	1296	28.56
6	A	1377	1243	32.74
7	A	1346	1215	6.68
8	A	1311	1184	32.09
9	A	1174	1060	8.74
10	A	1076	971	33.13
11	A	867	783	39.28
12	A	786	709	3.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.700	-0.331	0.021
N2	-0.705	-0.481	-0.153
O3	-0.064	0.885	0.016
H4	1.151	-0.573	0.962
H5	1.297	-0.502	-0.847
H6	-1.200	-0.652	0.704

	C1	N2	O3	H4	H5	H6
C1		1.4231	1.4357	1.0710	1.0675	2.0444
N2	1.4231		1.5177	2.1670	2.1185	1.0047
O3	1.4357	1.5177		2.1205	2.1261	2.0310
H4	1.0710	2.1670	2.1205		1.8158	2.3671
H5	1.0675	2.1185	2.1261	1.8158		2.9434
H6	2.0444	1.0047	2.0310	2.3671	2.9434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	58.337	C1	N2	H6	113.596
C1	O3	N2	57.533	N2	C1	O3	64.130
N2	C1	H4	119.993	N2	C1	H5	115.823
O3	C1	H4	114.764	O3	C1	H5	115.503
O3	N2	H6	105.445	H4	C1	H5	116.228

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

using model chemistry: HF/6-31G

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	0.150
2	N	-0.404
3	O	-0.498
4	H	0.190
5	H	0.212
6	H	0.351

	x	y	z	Total
	1.641	-2.454	1.946	3.536
CHELPG
AIM
ESP

	x	y	z
x	3.476	0.108	-0.112
y	0.108	2.898	-0.058
z	-0.112	-0.058	2.201

<r²>	33.886
(<r²>)^1/2	5.821

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

using model chemistry: HF/6-31G

States and conformations

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