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	hartrees
Energy at 0K	-168.611075
Energy at 298.15K
HF Energy	-168.493314
Nuclear repulsion energy	71.464771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3267	3267	29.48
2	A	3235	3235	0.34
3	A	3151	3151	13.09
4	A	1599	1599	1.21
5	A	1371	1371	24.36
6	A	1215	1215	25.62
7	A	1185	1185	1.96
8	A	1108	1108	6.93
9	A	1048	1048	13.81
10	A	957	957	17.79
11	A	745	745	9.93
12	A	714	714	1.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.689	-0.408	0.019
N2	-0.799	-0.432	-0.158
O3	0.038	0.922	0.012
H4	1.118	-0.717	0.966
H5	1.243	-0.672	-0.870
H6	-1.210	-0.517	0.795

	C1	N2	O3	H4	H5	H6
C1		1.4978	1.4802	1.0844	1.0809	2.0537
N2	1.4978		1.6006	2.2395	2.1757	1.0410
O3	1.4802	1.6006		2.1821	2.1843	2.0593
H4	1.0844	2.2395	2.1821		1.8408	2.3424
H5	1.0809	2.1757	2.1843	1.8408		2.9687
H6	2.0537	1.0410	2.0593	2.3424	2.9687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.958	C1	N2	H6	106.592
C1	O3	N2	58.023	N2	C1	O3	65.019
N2	C1	H4	119.427	N2	C1	H5	114.093
O3	C1	H4	115.752	O3	C1	H5	116.176
O3	N2	H6	100.288	H4	C1	H5	116.452

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

using model chemistry: B2PLYP=FULLultrafine/3-21G

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/3-21G

States and conformations

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