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	hartrees
Energy at 0K	-169.334720
Energy at 298.15K	-169.339149
HF Energy	-168.823416
Nuclear repulsion energy	74.752251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3432	3283	1.77
2	A	3222	3082	30.47
3	A	3125	2989	26.03
4	A	1559	1492	3.74
5	A	1387	1327	23.07
6	A	1317	1260	27.41
7	A	1279	1224	12.98
8	A	1241	1187	1.32
9	A	1105	1058	9.53
10	A	983	940	16.77
11	A	955	914	27.33
12	A	795	761	3.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.701	-0.307	0.016
N2	-0.720	-0.467	-0.163
O3	-0.067	0.856	0.022
H4	1.165	-0.592	0.972
H5	1.315	-0.487	-0.876
H6	-1.110	-0.657	0.773

	C1	N2	O3	H4	H5	H6
C1		1.4409	1.3940	1.1000	1.0980	1.9935
N2	1.4409		1.4866	2.2038	2.1567	1.0317
O3	1.3940	1.4866		2.1249	2.1263	1.9852
H4	1.1000	2.2038	2.1249		1.8571	2.2845
H5	1.0980	2.1567	2.1263	1.8571		2.9377
H6	1.9935	1.0317	1.9852	2.2845	2.9377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.846	C1	N2	H6	106.283
C1	O3	N2	59.922	N2	C1	O3	63.231
N2	C1	H4	119.704	N2	C1	H5	115.649
O3	C1	H4	116.370	O3	C1	H5	116.630
O3	N2	H6	102.552	H4	C1	H5	115.323

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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