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	hartrees
Energy at 0K	-169.294344
Energy at 298.15K	-169.298778
HF Energy	-168.807785
Nuclear repulsion energy	74.760419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3460	3247	1.17
2	A	3260	3060	25.43
3	A	3161	2967	21.73
4	A	1601	1503	2.73
5	A	1413	1326	29.04
6	A	1322	1241	28.94
7	A	1302	1222	13.04
8	A	1252	1175	1.38
9	A	1124	1055	12.04
10	A	1003	942	18.32
11	A	958	899	28.21
12	A	812	762	3.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.699	-0.314	0.017
N2	-0.720	-0.466	-0.161
O3	-0.062	0.859	0.021
H4	1.158	-0.590	0.966
H5	1.306	-0.493	-0.868
H6	-1.125	-0.647	0.763

	C1	N2	O3	H4	H5	H6
C1		1.4385	1.3992	1.0899	1.0875	1.9991
N2	1.4385		1.4904	2.1940	2.1460	1.0255
O3	1.3992	1.4904		2.1176	2.1191	1.9874
H4	1.0899	2.1940	2.1176		1.8428	2.2927
H5	1.0875	2.1460	2.1191	1.8428		2.9317
H6	1.9991	1.0255	1.9874	2.2927	2.9317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.039	C1	N2	H6	107.260
C1	O3	N2	59.613	N2	C1	O3	63.349
N2	C1	H4	119.755	N2	C1	H5	115.629
O3	C1	H4	116.035	O3	C1	H5	116.343
O3	N2	H6	102.786	H4	C1	H5	115.620

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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