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	hartrees
Energy at 0K	-169.312714
Energy at 298.15K	-169.317126
HF Energy	-168.807131
Nuclear repulsion energy	74.580385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3405	3234	2.84
2	A	3225	3063	28.37
3	A	3130	2973	25.62
4	A	1593	1513	3.39
5	A	1402	1331	27.77
6	A	1309	1243	30.62
7	A	1288	1223	10.35
8	A	1243	1181	1.80
9	A	1115	1059	12.08
10	A	996	946	17.95
11	A	942	894	27.22
12	A	776	737	4.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.690	-0.331	0.017
N2	-0.732	-0.453	-0.162
O3	-0.039	0.865	0.020
H4	1.142	-0.619	0.968
H5	1.294	-0.528	-0.868
H6	-1.143	-0.619	0.767

	C1	N2	O3	H4	H5	H6
C1		1.4381	1.4004	1.0920	1.0895	2.0011
N2	1.4381		1.5001	2.1947	2.1468	1.0288
O3	1.4004	1.5001		2.1206	2.1225	1.9949
H4	1.0920	2.1947	2.1206		1.8446	2.2942
H5	1.0895	2.1468	2.1225	1.8446		2.9359
H6	2.0011	1.0288	1.9949	2.2942	2.9359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.880	C1	N2	H6	107.259
C1	O3	N2	59.329	N2	C1	O3	63.791
N2	C1	H4	119.699	N2	C1	H5	115.590
O3	C1	H4	116.057	O3	C1	H5	116.400
O3	N2	H6	102.556	H4	C1	H5	115.465

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

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

using model chemistry: CCSD=FULL/6-31G*

States and conformations

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