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	hartrees
Energy at 0K	-169.342434
Energy at 298.15K	-169.346871
HF Energy	-168.820020
Nuclear repulsion energy	74.881321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3540	3298	1.27
2	A	3304	3078	19.97
3	A	3201	2982	23.20
4	A	1607	1497	3.49
5	A	1385	1291	21.46
6	A	1318	1228	31.46
7	A	1298	1209	12.36
8	A	1267	1180	1.47
9	A	1127	1050	10.44
10	A	1004	936	20.20
11	A	952	886	34.56
12	A	803	748	4.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.698	-0.319	0.017
N2	-0.721	-0.462	-0.160
O3	-0.057	0.859	0.020
H4	1.149	-0.591	0.963
H5	1.299	-0.497	-0.863
H6	-1.127	-0.640	0.758

	C1	N2	O3	H4	H5	H6
C1		1.4368	1.3993	1.0830	1.0808	1.9954
N2	1.4368		1.4897	2.1852	2.1394	1.0193
O3	1.3993	1.4897		2.1087	2.1120	1.9842
H4	1.0830	2.1852	2.1087		1.8347	2.2860
H5	1.0808	2.1394	2.1120	1.8347		2.9214
H6	1.9954	1.0193	1.9842	2.2860	2.9214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.097	C1	N2	H6	107.451
C1	O3	N2	59.551	N2	C1	O3	63.353
N2	C1	H4	119.616	N2	C1	H5	115.652
O3	C1	H4	115.728	O3	C1	H5	116.175
O3	N2	H6	102.920	H4	C1	H5	115.970

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

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

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/6-31+G**

States and conformations

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