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	hartrees
Energy at 0K	-169.443468
Energy at 298.15K	-169.447922
HF Energy	-168.829842
Nuclear repulsion energy	75.402324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3527	3527	0.20
2	A	3275	3275	18.25
3	A	3176	3176	20.12
4	A	1583	1583	1.96
5	A	1410	1410	29.13
6	A	1332	1332	28.52
7	A	1304	1304	15.61
8	A	1256	1256	1.16
9	A	1133	1133	9.68
10	A	1008	1008	17.85
11	A	970	970	27.12
12	A	829	829	3.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.699	-0.305	0.016
N2	-0.714	-0.462	-0.161
O3	-0.067	0.848	0.022
H4	1.150	-0.584	0.962
H5	1.302	-0.479	-0.866
H6	-1.108	-0.657	0.757

	C1	N2	O3	H4	H5	H6
C1		1.4320	1.3848	1.0844	1.0827	1.9840
N2	1.4320		1.4722	2.1795	2.1356	1.0183
O3	1.3848	1.4722		2.1017	2.1041	1.9715
H4	1.0844	2.1795	2.1017		1.8367	2.2686
H5	1.0827	2.1356	2.1041	1.8367		2.9111
H6	1.9840	1.0183	1.9715	2.2686	2.9111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.937	C1	N2	H6	106.922
C1	O3	N2	60.069	N2	C1	O3	62.994
N2	C1	H4	119.386	N2	C1	H5	115.567
O3	C1	H4	116.146	O3	C1	H5	116.488
O3	N2	H6	103.163	H4	C1	H5	115.887

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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: MP3=FULL/6-31G(2df,p)

States and conformations

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