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	hartrees
Energy at 0K	-169.366284
Energy at 298.15K	-169.370726
HF Energy	-168.848569
Nuclear repulsion energy	75.137727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3459	3304	2.93
2	A	3217	3072	27.19
3	A	3116	2976	26.71
4	A	1578	1508	1.83
5	A	1412	1349	27.42
6	A	1327	1268	32.33
7	A	1303	1244	12.61
8	A	1245	1189	1.32
9	A	1124	1073	10.51
10	A	1002	957	17.77
11	A	954	911	33.04
12	A	818	781	3.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.702	-0.306	0.016
N2	-0.713	-0.465	-0.162
O3	-0.071	0.851	0.022
H4	1.157	-0.577	0.970
H5	1.310	-0.474	-0.871
H6	-1.120	-0.665	0.754

	C1	N2	O3	H4	H5	H6
C1		1.4349	1.3917	1.0907	1.0884	1.9980
N2	1.4349		1.4752	2.1887	2.1433	1.0218
O3	1.3917	1.4752		2.1086	2.1119	1.9830
H4	1.0907	2.1887	2.1086		1.8498	2.2890
H5	1.0884	2.1433	2.1119	1.8498		2.9289
H6	1.9980	1.0218	1.9830	2.2890	2.9289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.118	C1	N2	H6	107.646
C1	O3	N2	59.983	N2	C1	O3	62.899
N2	C1	H4	119.514	N2	C1	H5	115.613
O3	C1	H4	115.767	O3	C1	H5	116.230
O3	N2	H6	103.661	H4	C1	H5	116.181

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

using model chemistry: CCD/6-311G*

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/6-311G*

States and conformations

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