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	hartrees
Energy at 0K	-169.368625
Energy at 298.15K	-169.372997
HF Energy	-168.835391
Nuclear repulsion energy	73.907155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3428	3323	1.93
2	A	3254	3154	14.72
3	A	3141	3044	26.32
4	A	1533	1486	0.83
5	A	1348	1307	21.22
6	A	1252	1213	27.72
7	A	1232	1194	12.47
8	A	1213	1175	5.83
9	A	1079	1046	10.42
10	A	973	943	17.61
11	A	900	872	30.46
12	A	717	695	2.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.676	-0.368	0.018
N2	-0.759	-0.430	-0.161
O3	0.006	0.879	0.018
H4	1.111	-0.666	0.977
H5	1.261	-0.589	-0.879
H6	-1.161	-0.559	0.779

	C1	N2	O3	H4	H5	H6
C1		1.4472	1.4151	1.0950	1.0931	1.9975
N2	1.4472		1.5262	2.2019	2.1498	1.0299
O3	1.4151	1.5262		2.1281	2.1292	2.0024
H4	1.0950	2.2019	2.1281		1.8634	2.2836
H5	1.0931	2.1498	2.1292	1.8634		2.9350
H6	1.9975	1.0299	2.0024	2.2836	2.9350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.766	C1	N2	H6	106.268
C1	O3	N2	58.803	N2	C1	O3	64.431
N2	C1	H4	119.381	N2	C1	H5	114.903
O3	C1	H4	115.351	O3	C1	H5	115.583
O3	N2	H6	101.369	H4	C1	H5	116.766

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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