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	hartrees
Energy at 0K	-168.188128
Energy at 298.15K	-168.192414
HF Energy	-167.844598
Nuclear repulsion energy	70.915592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3287	3116	26.99
2	A	3246	3078	1.30
3	A	3168	3004	10.74
4	A	1617	1533	1.15
5	A	1372	1301	22.53
6	A	1226	1162	14.84
7	A	1191	1129	12.43
8	A	1077	1021	4.41
9	A	1051	996	18.39
10	A	962	912	18.61
11	A	761	721	9.68
12	A	703	666	1.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	-0.433	0.019
N2	-0.818	-0.414	-0.157
O3	0.068	0.931	0.011
H4	1.103	-0.752	0.967
H5	1.224	-0.713	-0.873
H6	-1.225	-0.480	0.800

	C1	N2	O3	H4	H5	H6
C1		1.5089	1.4947	1.0854	1.0816	2.0591
N2	1.5089		1.6195	2.2510	2.1851	1.0413
O3	1.4947	1.6195		2.1940	2.1953	2.0697
H4	1.0854	2.2510	2.1940		1.8438	2.3493
H5	1.0816	2.1851	2.1953	1.8438		2.9748
H6	2.0591	1.0413	2.0697	2.3493	2.9748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.948	C1	N2	H6	106.240
C1	O3	N2	57.794	N2	C1	O3	65.258
N2	C1	H4	119.485	N2	C1	H5	114.012
O3	C1	H4	115.587	O3	C1	H5	115.960
O3	N2	H6	99.840	H4	C1	H5	116.603

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

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

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