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	hartrees
Energy at 0K	-169.249352
Energy at 298.15K	-169.253811
HF Energy	-168.809189
Nuclear repulsion energy	75.244192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3537	3275	0.38
2	A	3305	3060	28.36
3	A	3208	2970	25.48
4	A	1631	1510	4.54
5	A	1432	1326	29.52
6	A	1363	1262	36.40
7	A	1329	1230	12.60
8	A	1281	1186	1.12
9	A	1146	1061	11.24
10	A	1023	947	19.14
11	A	975	903	33.54
12	A	837	775	5.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.698	-0.306	0.017
N2	-0.709	-0.468	-0.161
O3	-0.071	0.853	0.021
H4	1.156	-0.577	0.964
H5	1.307	-0.477	-0.862
H6	-1.121	-0.655	0.753

	C1	N2	O3	H4	H5	H6
C1		1.4272	1.3912	1.0859	1.0835	1.9929
N2	1.4272		1.4786	2.1802	2.1345	1.0197
O3	1.3912	1.4786		2.1072	2.1093	1.9782
H4	1.0859	2.1802	2.1072		1.8351	2.2879
H5	1.0835	2.1345	2.1093	1.8351		2.9217
H6	1.9929	1.0197	1.9782	2.2879	2.9217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.179	C1	N2	H6	107.906
C1	O3	N2	59.551	N2	C1	O3	63.270
N2	C1	H4	119.740	N2	C1	H5	115.786
O3	C1	H4	116.025	O3	C1	H5	116.384
O3	N2	H6	103.177	H4	C1	H5	115.539

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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