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	hartrees
Energy at 0K	-169.294564
Energy at 298.15K	-169.298964
HF Energy	-168.806336
Nuclear repulsion energy	74.365992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3434	3236	0.96
2	A	3266	3078	24.98
3	A	3160	2978	23.08
4	A	1598	1506	2.62
5	A	1396	1315	26.74
6	A	1288	1214	27.98
7	A	1274	1200	11.92
8	A	1238	1167	2.83
9	A	1108	1044	14.65
10	A	993	936	18.42
11	A	930	876	25.54
12	A	761	717	2.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.684	-0.344	0.018
N2	-0.740	-0.447	-0.160
O3	-0.023	0.872	0.018
H4	1.132	-0.634	0.968
H5	1.279	-0.552	-0.868
H6	-1.148	-0.596	0.771

	C1	N2	O3	H4	H5	H6
C1		1.4387	1.4066	1.0898	1.0872	1.9967
N2	1.4387		1.5115	2.1938	2.1421	1.0279
O3	1.4066	1.5115		2.1223	2.1238	1.9964
H4	1.0898	2.1938	2.1223		1.8433	2.2889
H5	1.0872	2.1421	2.1238	1.8433		2.9290
H6	1.9967	1.0279	1.9964	2.2889	2.9290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.886	C1	N2	H6	106.914
C1	O3	N2	58.950	N2	C1	O3	64.164
N2	C1	H4	119.735	N2	C1	H5	115.295
O3	C1	H4	115.873	O3	C1	H5	116.195
O3	N2	H6	101.970	H4	C1	H5	115.718

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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