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	hartrees
Energy at 0K	-169.345533
Energy at 298.15K	-169.349945
HF Energy	-168.822971
Nuclear repulsion energy	74.604522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3418	3418	2.35
2	A	3218	3218	31.92
3	A	3122	3122	28.52
4	A	1558	1558	4.13
5	A	1381	1381	22.32
6	A	1306	1306	29.22
7	A	1271	1271	10.78
8	A	1235	1235	1.75
9	A	1101	1101	9.55
10	A	979	979	16.52
11	A	941	941	27.07
12	A	764	764	3.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.692	-0.323	0.016
N2	-0.732	-0.455	-0.163
O3	-0.045	0.861	0.021
H4	1.150	-0.618	0.971
H5	1.302	-0.519	-0.875
H6	-1.125	-0.630	0.775

	C1	N2	O3	H4	H5	H6
C1		1.4414	1.3952	1.0995	1.0974	1.9930
N2	1.4414		1.4960	2.2031	2.1559	1.0319
O3	1.3952	1.4960		2.1257	2.1270	1.9899
H4	1.0995	2.2031	2.1257		1.8552	2.2830
H5	1.0974	2.1559	2.1270	1.8552		2.9367
H6	1.9930	1.0319	1.9899	2.2830	2.9367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.679	C1	N2	H6	106.195
C1	O3	N2	59.687	N2	C1	O3	63.634
N2	C1	H4	119.632	N2	C1	H5	115.583
O3	C1	H4	116.384	O3	C1	H5	116.647
O3	N2	H6	102.283	H4	C1	H5	115.237

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

using model chemistry: CCSD=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: CCSD=FULL/cc-pVDZ

States and conformations

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