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	hartrees
Energy at 0K	-168.182941
Energy at 298.15K	-168.187231
HF Energy	-167.844548
Nuclear repulsion energy	70.905233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3286	3137	27.08
2	A	3246	3098	1.32
3	A	3168	3024	10.80
4	A	1617	1544	1.17
5	A	1373	1310	22.55
6	A	1226	1170	14.88
7	A	1191	1136	12.39
8	A	1077	1028	4.40
9	A	1051	1003	18.38
10	A	962	918	18.60
11	A	760	726	9.68
12	A	703	671	1.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	-0.433	0.019
N2	-0.818	-0.415	-0.157
O3	0.068	0.931	0.011
H4	1.103	-0.752	0.967
H5	1.225	-0.713	-0.873
H6	-1.225	-0.480	0.800

	C1	N2	O3	H4	H5	H6
C1		1.5092	1.4949	1.0855	1.0817	2.0593
N2	1.5092		1.6198	2.2513	2.1854	1.0414
O3	1.4949	1.6198		2.1943	2.1956	2.0698
H4	1.0855	2.2513	2.1943		1.8440	2.3495
H5	1.0817	2.1854	2.1956	1.8440		2.9751
H6	2.0593	1.0414	2.0698	2.3495	2.9751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.948	C1	N2	H6	106.232
C1	O3	N2	57.796	N2	C1	O3	65.256
N2	C1	H4	119.483	N2	C1	H5	114.009
O3	C1	H4	115.586	O3	C1	H5	115.957
O3	N2	H6	99.830	H4	C1	H5	116.610

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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