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	hartrees
Energy at 0K	-167.309323
Energy at 298.15K	-167.313676
HF Energy	-167.248963
Nuclear repulsion energy	72.119886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3509	3509	2.66
2	A	3395	3395	30.77
3	A	3349	3349	2.02
4	A	1647	1647	1.13
5	A	1450	1450	17.69
6	A	1341	1341	1.56
7	A	1299	1299	13.75
8	A	1209	1209	3.44
9	A	1097	1097	5.34
10	A	1002	1002	0.95
11	A	986	986	7.27
12	A	947	947	4.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.778	-0.238	0.012
N2	-0.697	-0.548	-0.174
O3	-0.183	0.865	0.028
H4	1.273	-0.492	0.969
H5	1.413	-0.346	-0.887
H6	-1.011	-0.810	0.833

	C1	N2	O3	H4	H5	H6
C1		1.5189	1.4631	1.1070	1.1055	2.0502
N2	1.5189		1.5172	2.2780	2.2364	1.0865
O3	1.4631	1.5172		2.2015	2.2025	2.0340
H4	1.1070	2.2780	2.2015		1.8668	2.3100
H5	1.1055	2.2364	2.2025	1.8668		3.0082
H6	2.0502	1.0865	2.0340	2.3100	3.0082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.621	C1	N2	H6	102.524
C1	O3	N2	61.247	N2	C1	O3	61.132
N2	C1	H4	119.517	N2	C1	H5	115.999
O3	C1	H4	117.195	O3	C1	H5	117.386
O3	N2	H6	101.456	H4	C1	H5	115.081

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

using model chemistry: B2PLYP=FULL/STO-3G

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/STO-3G

States and conformations

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