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	hartrees
Energy at 0K	-169.360458
Energy at 298.15K	-169.364826
HF Energy	-168.835117
Nuclear repulsion energy	73.842463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3424	3284	1.92
2	A	3249	3116	14.84
3	A	3136	3007	26.38
4	A	1531	1468	0.83
5	A	1347	1292	21.24
6	A	1249	1198	27.76
7	A	1230	1180	12.28
8	A	1210	1160	5.85
9	A	1077	1032	10.44
10	A	971	931	17.47
11	A	897	860	30.45
12	A	716	687	2.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.677	-0.367	0.018
N2	-0.759	-0.431	-0.161
O3	0.004	0.879	0.018
H4	1.114	-0.664	0.978
H5	1.263	-0.587	-0.880
H6	-1.160	-0.562	0.780

	C1	N2	O3	H4	H5	H6
C1		1.4487	1.4166	1.0959	1.0940	1.9988
N2	1.4487		1.5273	2.2040	2.1517	1.0307
O3	1.4166	1.5273		2.1299	2.1312	2.0036
H4	1.0959	2.2040	2.1299		1.8650	2.2850
H5	1.0940	2.1517	2.1312	1.8650		2.9371
H6	1.9988	1.0307	2.0036	2.2850	2.9371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.777	C1	N2	H6	106.223
C1	O3	N2	58.815	N2	C1	O3	64.409
N2	C1	H4	119.384	N2	C1	H5	114.898
O3	C1	H4	115.342	O3	C1	H5	115.583
O3	N2	H6	101.348	H4	C1	H5	116.782

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

using model chemistry: MP2/aug-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: MP2/aug-cc-pVDZ

States and conformations

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