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	hartrees
Energy at 0K	-169.362994
Energy at 298.15K	-169.367365
HF Energy	-168.821138
Nuclear repulsion energy	74.137778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3379	3241
2	A	3192	3062
3	A	3097	2970
4	A	1543	1479
5	A	1363	1307
6	A	1270	1218
7	A	1247	1196
8	A	1216	1166
9	A	1085	1040
10	A	964	924
11	A	915	878
12	A	709	680

Atom	x (Å)	y (Å)	z (Å)
C1	0.677	-0.355	0.016
N2	-0.759	-0.429	-0.162
O3	0.000	0.871	0.020
H4	1.123	-0.672	0.973
H5	1.276	-0.584	-0.877
H6	-1.152	-0.574	0.784

	C1	N2	O3	H4	H5	H6
C1		1.4487	1.4003	1.1016	1.0994	1.9955
N2	1.4487		1.5164	2.2108	2.1617	1.0348
O3	1.4003	1.5164		2.1327	2.1327	1.9996
H4	1.1016	2.2108	2.1327		1.8575	2.2849
H5	1.0994	2.1617	2.1327	1.8575		2.9412
H6	1.9955	1.0348	1.9996	2.2849	2.9412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.308	C1	N2	H6	105.722
C1	O3	N2	59.403	N2	C1	O3	64.288
N2	C1	H4	119.583	N2	C1	H5	115.391
O3	C1	H4	116.445	O3	C1	H5	116.609
O3	N2	H6	101.547	H4	C1	H5	115.119

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

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/cc-pVDZ

States and conformations

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