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	hartrees
Energy at 0K	-169.410001
Energy at 298.15K	-169.414412
HF Energy	-168.847523
Nuclear repulsion energy	74.801292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3474	3290	1.51
2	A	3251	3079	25.92
3	A	3142	2975	27.58
4	A	1581	1497	1.27
5	A	1396	1322	26.31
6	A	1295	1227	32.93
7	A	1281	1213	10.26
8	A	1235	1170	2.63
9	A	1114	1055	12.98
10	A	997	945	18.81
11	A	932	882	30.60
12	A	766	725	2.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.687	-0.335	0.017
N2	-0.733	-0.446	-0.160
O3	-0.032	0.863	0.020
H4	1.131	-0.620	0.969
H5	1.282	-0.533	-0.870
H6	-1.143	-0.614	0.760

	C1	N2	O3	H4	H5	H6
C1		1.4353	1.3975	1.0884	1.0858	1.9943
N2	1.4353		1.4954	2.1865	2.1378	1.0214
O3	1.3975	1.4954		2.1100	2.1133	1.9900
H4	1.0884	2.1865	2.1100		1.8469	2.2833
H5	1.0858	2.1378	2.1133	1.8469		2.9225
H6	1.9943	1.0214	1.9900	2.2833	2.9225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.914	C1	N2	H6	107.338
C1	O3	N2	59.376	N2	C1	O3	63.709
N2	C1	H4	119.453	N2	C1	H5	115.286
O3	C1	H4	115.605	O3	C1	H5	116.078
O3	N2	H6	102.876	H4	C1	H5	116.311

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

using model chemistry: MP2=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: MP2=FULL/6-311G*

States and conformations

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