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	hartrees
Energy at 0K	-169.548055
Energy at 298.15K	-169.552435
HF Energy	-168.877831
Nuclear repulsion energy	74.447934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3406	3293
2	A	3191	3085
3	A	3095	2992
4	A	1543	1492
5	A	1358	1313
6	A	1260	1218
7	A	1244	1203
8	A	1221	1180
9	A	1090	1054
10	A	975	942
11	A	901	871
12	A	726	702

Atom	x (Å)	y (Å)	z (Å)
C1	0.678	-0.357	0.017
N2	-0.751	-0.431	-0.161
O3	-0.004	0.870	0.019
H4	1.111	-0.655	0.968
H5	1.266	-0.573	-0.869
H6	-1.154	-0.575	0.770

	C1	N2	O3	H4	H5	H6
C1		1.4416	1.4027	1.0874	1.0855	1.9923
N2	1.4416		1.5105	2.1893	2.1428	1.0240
O3	1.4027	1.5105		2.1141	2.1169	1.9937
H4	1.0874	2.1893	2.1141		1.8459	2.2754
H5	1.0855	2.1428	2.1169	1.8459		2.9229
H6	1.9923	1.0240	1.9937	2.2754	2.9229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.680	C1	N2	H6	106.583
C1	O3	N2	59.183	N2	C1	O3	64.137
N2	C1	H4	119.261	N2	C1	H5	115.249
O3	C1	H4	115.635	O3	C1	H5	116.010
O3	N2	H6	102.029	H4	C1	H5	116.317

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

using model chemistry: QCISD(T)/aug-cc-pVTZ

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)/aug-cc-pVTZ

States and conformations

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