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	hartrees
Energy at 0K	-169.688427
Energy at 298.15K	-169.692821
HF Energy	-169.498064
Nuclear repulsion energy	74.743619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3431	3431	1.51
2	A	3198	3198	30.08
3	A	3101	3101	32.66
4	A	1561	1561	1.95
5	A	1366	1366	22.09
6	A	1281	1281	36.41
7	A	1260	1260	9.41
8	A	1223	1223	2.21
9	A	1097	1097	10.90
10	A	979	979	18.01
11	A	904	904	30.91
12	A	751	751	4.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.685	-0.337	0.017
N2	-0.737	-0.444	-0.161
O3	-0.028	0.864	0.020
H4	1.129	-0.629	0.966
H5	1.282	-0.542	-0.867
H6	-1.141	-0.606	0.765

	C1	N2	O3	H4	H5	H6
C1		1.4364	1.3967	1.0883	1.0858	1.9917
N2	1.4364		1.4988	2.1877	2.1407	1.0229
O3	1.3967	1.4988		2.1129	2.1160	1.9893
H4	1.0883	2.1877	2.1129		1.8413	2.2799
H5	1.0858	2.1407	2.1160	1.8413		2.9220
H6	1.9917	1.0229	1.9893	2.2799	2.9220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.780	C1	N2	H6	106.955
C1	O3	N2	59.357	N2	C1	O3	63.863
N2	C1	H4	119.481	N2	C1	H5	115.444
O3	C1	H4	115.931	O3	C1	H5	116.380
O3	N2	H6	102.512	H4	C1	H5	115.762

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CNOH3 (1,2-oxaziridine)

using model chemistry: B2PLYP=FULL/6-311G**

States and conformations

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