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	hartrees
Energy at 0K	-169.403042
Energy at 298.15K	-169.407371
HF Energy	-168.833179
Nuclear repulsion energy	73.436970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3373	3295
2	A	3204	3130
3	A	3106	3034
4	A	1580	1543
5	A	1385	1353
6	A	1268	1239
7	A	1251	1222
8	A	1223	1194
9	A	1093	1068
10	A	977	954
11	A	910	889
12	A	709	692

Atom	x (Å)	y (Å)	z (Å)
C1	0.657	-0.402	0.018
N2	-0.786	-0.398	-0.161
O3	0.055	0.885	0.017
H4	1.080	-0.725	0.980
H5	1.234	-0.658	-0.880
H6	-1.193	-0.500	0.784

	C1	N2	O3	H4	H5	H6
C1		1.4541	1.4206	1.0998	1.0977	2.0045
N2	1.4541		1.5448	2.2118	2.1603	1.0338
O3	1.4206	1.5448		2.1380	2.1387	2.0162
H4	1.0998	2.2118	2.1380		1.8677	2.2924
H5	1.0977	2.1603	2.1387	1.8677		2.9471
H6	2.0045	1.0338	2.0162	2.2924	2.9471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.453	C1	N2	H6	106.122
C1	O3	N2	58.550	N2	C1	O3	64.997
N2	C1	H4	119.357	N2	C1	H5	114.969
O3	C1	H4	115.462	O3	C1	H5	115.668
O3	N2	H6	101.010	H4	C1	H5	116.404

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

using model chemistry: MP4/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: MP4/aug-cc-pVDZ

States and conformations

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