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	hartrees
Energy at 0K	-169.331583
Energy at 298.15K	-169.336026
HF Energy	-168.815184
Nuclear repulsion energy	74.945752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3534	3534	1.34
2	A	3297	3297	27.86
3	A	3196	3196	24.07
4	A	1617	1617	4.02
5	A	1405	1405	26.82
6	A	1326	1326	29.01
7	A	1304	1304	12.01
8	A	1265	1265	1.33
9	A	1130	1130	11.33
10	A	1008	1008	18.68
11	A	962	962	27.62
12	A	812	812	3.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.697	-0.315	0.016
N2	-0.720	-0.463	-0.160
O3	-0.060	0.858	0.021
H4	1.152	-0.593	0.960
H5	1.301	-0.496	-0.862
H6	-1.118	-0.643	0.761

	C1	N2	O3	H4	H5	H6
C1		1.4360	1.3963	1.0835	1.0814	1.9890
N2	1.4360		1.4887	2.1854	2.1399	1.0196
O3	1.3963	1.4887		2.1107	2.1132	1.9807
H4	1.0835	2.1854	2.1107		1.8307	2.2787
H5	1.0814	2.1399	2.1132	1.8307		2.9167
H6	1.9890	1.0196	1.9807	2.2787	2.9167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.999	C1	N2	H6	106.962
C1	O3	N2	59.601	N2	C1	O3	63.400
N2	C1	H4	119.659	N2	C1	H5	115.716
O3	C1	H4	116.103	O3	C1	H5	116.483
O3	N2	H6	102.701	H4	C1	H5	115.486

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

using model chemistry: MP3=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: MP3=FULL/6-31G**

States and conformations

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