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	hartrees
Energy at 0K	-169.329413
Energy at 298.15K	-169.333786
HF Energy	-168.805309
Nuclear repulsion energy	74.126340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3363	3363
2	A	3198	3198
3	A	3103	3103
4	A	1580	1580
5	A	1387	1387
6	A	1275	1275
7	A	1261	1261
8	A	1226	1226
9	A	1099	1099
10	A	982	982
11	A	915	915
12	A	723	723

Atom	x (Å)	y (Å)	z (Å)
C1	0.677	-0.359	0.017
N2	-0.755	-0.431	-0.161
O3	0.000	0.874	0.019
H4	1.120	-0.665	0.970
H5	1.272	-0.585	-0.869
H6	-1.166	-0.571	0.775

	C1	N2	O3	H4	H5	H6
C1		1.4447	1.4067	1.0942	1.0915	2.0038
N2	1.4447		1.5188	2.2021	2.1524	1.0318
O3	1.4067	1.5188		2.1277	2.1294	2.0052
H4	1.0942	2.2021	2.1277		1.8474	2.2964
H5	1.0915	2.1524	2.1294	1.8474		2.9406
H6	2.0038	1.0318	2.0052	2.2964	2.9406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.609	C1	N2	H6	106.840
C1	O3	N2	59.037	N2	C1	O3	64.354
N2	C1	H4	119.667	N2	C1	H5	115.431
O3	C1	H4	116.034	O3	C1	H5	116.373
O3	N2	H6	101.961	H4	C1	H5	115.399

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

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/6-31G*

States and conformations

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