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	hartrees
Energy at 0K	-169.518047
Energy at 298.15K	-169.522472
HF Energy	-168.879914
Nuclear repulsion energy	75.026024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3457	3304	1.56
2	A	3217	3075	16.01
3	A	3122	2984	26.74
4	A	1565	1496	1.43
5	A	1379	1318	24.19
6	A	1301	1243	36.16
7	A	1276	1220	10.53
8	A	1247	1191	1.57
9	A	1111	1062	8.02
10	A	992	948	17.27
11	A	933	892	33.22
12	A	783	749	5.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.690	-0.326	0.017
N2	-0.726	-0.452	-0.161
O3	-0.044	0.858	0.021
H4	1.134	-0.608	0.966
H5	1.290	-0.513	-0.866
H6	-1.130	-0.626	0.760

	C1	N2	O3	H4	H5	H6
C1		1.4330	1.3934	1.0851	1.0834	1.9888
N2	1.4330		1.4881	2.1805	2.1362	1.0201
O3	1.3934	1.4881		2.1054	2.1085	1.9818
H4	1.0851	2.1805	2.1054		1.8409	2.2738
H5	1.0834	2.1362	2.1085	1.8409		2.9171
H6	1.9888	1.0201	1.9818	2.2738	2.9171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.941	C1	N2	H6	107.134
C1	O3	N2	59.537	N2	C1	O3	63.522
N2	C1	H4	119.335	N2	C1	H5	115.492
O3	C1	H4	115.752	O3	C1	H5	116.149
O3	N2	H6	102.798	H4	C1	H5	116.196

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

using model chemistry: CCSD/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: CCSD/aug-cc-pVTZ

States and conformations

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