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	hartrees
Energy at 0K	-169.733604
Energy at 298.15K	-169.738001
HF Energy	-169.518966
Nuclear repulsion energy	74.831028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3434	3282	1.13
2	A	3198	3057	23.92
3	A	3108	2970	33.30
4	A	1557	1488	1.54
5	A	1368	1308	25.62
6	A	1274	1218	36.97
7	A	1258	1203	8.37
8	A	1229	1175	3.07
9	A	1099	1051	9.76
10	A	980	936	17.10
11	A	903	863	29.76
12	A	752	719	4.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	-0.345	0.017
N2	-0.740	-0.437	-0.160
O3	-0.017	0.865	0.019
H4	1.117	-0.640	0.964
H5	1.272	-0.555	-0.864
H6	-1.147	-0.592	0.762

	C1	N2	O3	H4	H5	H6
C1		1.4330	1.3959	1.0839	1.0822	1.9875
N2	1.4330		1.5003	2.1801	2.1343	1.0200
O3	1.3959	1.5003		2.1080	2.1110	1.9877
H4	1.0839	2.1801	2.1080		1.8358	2.2734
H5	1.0822	2.1343	2.1110	1.8358		2.9145
H6	1.9875	1.0200	1.9877	2.2734	2.9145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.778	C1	N2	H6	107.031
C1	O3	N2	59.177	N2	C1	O3	64.045
N2	C1	H4	119.387	N2	C1	H5	115.407
O3	C1	H4	115.864	O3	C1	H5	116.262
O3	N2	H6	102.443	H4	C1	H5	115.885

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVTZ

States and conformations

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