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	hartrees
Energy at 0K	-169.624440
Energy at 298.15K
HF Energy	-169.456806
Nuclear repulsion energy	74.546396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3440	3440	2.40
2	A	3223	3223	30.72
3	A	3124	3124	29.93
4	A	1583	1583	3.73
5	A	1376	1376	23.93
6	A	1285	1285	33.65
7	A	1265	1265	9.07
8	A	1229	1229	1.58
9	A	1099	1099	12.26
10	A	982	982	17.56
11	A	912	912	26.71
12	A	752	752	4.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.683	-0.341	0.017
N2	-0.740	-0.444	-0.160
O3	-0.023	0.868	0.019
H4	1.131	-0.637	0.964
H5	1.281	-0.552	-0.865
H6	-1.145	-0.598	0.768

	C1	N2	O3	H4	H5	H6
C1		1.4379	1.4008	1.0885	1.0863	1.9932
N2	1.4379		1.5064	2.1916	2.1430	1.0247
O3	1.4008	1.5064		2.1190	2.1213	1.9929
H4	1.0885	2.1916	2.1190		1.8373	2.2850
H5	1.0863	2.1430	2.1213	1.8373		2.9249
H6	1.9932	1.0247	1.9929	2.2850	2.9249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.758	C1	N2	H6	106.868
C1	O3	N2	59.154	N2	C1	O3	64.087
N2	C1	H4	119.691	N2	C1	H5	115.496
O3	C1	H4	116.139	O3	C1	H5	116.499
O3	N2	H6	102.197	H4	C1	H5	115.310

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G**

States and conformations

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