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	hartrees
Energy at 0K	-168.946551
Energy at 298.15K	-168.950934
HF Energy	-168.946551
Nuclear repulsion energy	75.214307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3272	3219	5.90
2	A	3082	3032	27.87
3	A	2987	2938	32.73
4	A	1493	1468	1.86
5	A	1350	1328	22.35
6	A	1286	1266	34.72
7	A	1230	1210	15.71
8	A	1143	1125	3.39
9	A	1059	1042	13.45
10	A	947	931	23.12
11	A	919	904	22.83
12	A	796	783	7.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.700	-0.299	0.017
N2	-0.707	-0.467	-0.165
O3	-0.077	0.848	0.024
H4	1.161	-0.576	0.977
H5	1.316	-0.470	-0.877
H6	-1.113	-0.678	0.765

	C1	N2	O3	H4	H5	H6
C1		1.4291	1.3858	1.1009	1.0985	1.9981
N2	1.4291		1.4704	2.1926	2.1451	1.0362
O3	1.3858	1.4704		2.1141	2.1187	1.9882
H4	1.1009	2.1926	2.1141		1.8637	2.2865
H5	1.0985	2.1451	2.1187	1.8637		2.9394
H6	1.9981	1.0362	1.9882	2.2865	2.9394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.080	C1	N2	H6	107.210
C1	O3	N2	59.958	N2	C1	O3	62.962
N2	C1	H4	119.578	N2	C1	H5	115.516
O3	C1	H4	115.987	O3	C1	H5	116.574
O3	N2	H6	103.609	H4	C1	H5	115.854

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

using model chemistry: LSDA/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	-0.248
2	N	-0.358
3	O	-0.211
4	H	0.233
5	H	0.248
6	H	0.335

	x	y	z	Total
	1.202	-1.576	1.575	2.531
CHELPG
AIM
ESP

	x	y	z
x	3.668	-0.055	-0.143
y	-0.055	2.792	-0.150
z	-0.143	-0.150	2.819

<r²>	33.152
(<r²>)^1/2	5.758

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

using model chemistry: LSDA/6-311G*

States and conformations

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