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	hartrees
Energy at 0K	-169.420142
Energy at 298.15K	-169.424586
HF Energy	-168.829371
Nuclear repulsion energy	75.214930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3488	3304	0.19
2	A	3246	3074	19.38
3	A	3149	2983	21.37
4	A	1577	1494	2.25
5	A	1401	1327	28.64
6	A	1323	1253	29.96
7	A	1297	1228	14.04
8	A	1255	1189	1.14
9	A	1125	1065	9.80
10	A	1000	947	17.18
11	A	960	909	27.15
12	A	819	776	3.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.699	-0.306	0.016
N2	-0.715	-0.464	-0.162
O3	-0.068	0.851	0.022
H4	1.154	-0.584	0.964
H5	1.306	-0.480	-0.868
H6	-1.110	-0.657	0.760

	C1	N2	O3	H4	H5	H6
C1		1.4338	1.3886	1.0875	1.0859	1.9874
N2	1.4338		1.4767	2.1848	2.1402	1.0216
O3	1.3886	1.4767		2.1072	2.1097	1.9758
H4	1.0875	2.1848	2.1072		1.8411	2.2739
H5	1.0859	2.1402	2.1097	1.8411		2.9183
H6	1.9874	1.0216	1.9758	2.2739	2.9183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.968	C1	N2	H6	106.874
C1	O3	N2	59.961	N2	C1	O3	63.070
N2	C1	H4	119.484	N2	C1	H5	115.604
O3	C1	H4	116.120	O3	C1	H5	116.460
O3	N2	H6	103.014	H4	C1	H5	115.803

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

using model chemistry: CCD/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: CCD/6-31G(2df,p)

States and conformations

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