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	hartrees
Energy at 0K	-169.338035
Energy at 298.15K	-169.342471
HF Energy	-168.823786
Nuclear repulsion energy	74.866724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3467	3260	1.15
2	A	3248	3054	29.38
3	A	3148	2960	24.47
4	A	1564	1471	3.37
5	A	1394	1310	23.69
6	A	1321	1242	26.70
7	A	1285	1208	13.69
8	A	1243	1169	1.14
9	A	1111	1044	9.50
10	A	987	928	17.21
11	A	959	902	27.15
12	A	804	756	3.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.702	-0.305	0.016
N2	-0.719	-0.467	-0.163
O3	-0.069	0.854	0.023
H4	1.165	-0.589	0.969
H5	1.315	-0.482	-0.875
H6	-1.105	-0.661	0.771

	C1	N2	O3	H4	H5	H6
C1		1.4410	1.3920	1.0975	1.0955	1.9903
N2	1.4410		1.4830	2.2013	2.1546	1.0289
O3	1.3920	1.4830		2.1213	2.1226	1.9815
H4	1.0975	2.2013	2.1213		1.8536	2.2797
H5	1.0955	2.1546	2.1226	1.8536		2.9317
H6	1.9903	1.0289	1.9815	2.2797	2.9317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.836	C1	N2	H6	106.182
C1	O3	N2	60.059	N2	C1	O3	63.105
N2	C1	H4	119.656	N2	C1	H5	115.633
O3	C1	H4	116.384	O3	C1	H5	116.641
O3	N2	H6	102.650	H4	C1	H5	115.399

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

using model chemistry: MP3=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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