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	hartrees
Energy at 0K	-169.465449
Energy at 298.15K	-169.469867
HF Energy	-168.869497
Nuclear repulsion energy	74.908229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3451	3270	2.38
2	A	3232	3062	23.73
3	A	3134	2970	27.24
4	A	1588	1505	2.67
5	A	1362	1291	18.04
6	A	1301	1233	32.83
7	A	1281	1214	8.23
8	A	1258	1192	3.68
9	A	1119	1061	10.96
10	A	998	946	18.47
11	A	924	876	33.00
12	A	769	729	4.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.686	-0.335	0.017
N2	-0.734	-0.444	-0.161
O3	-0.031	0.861	0.021
H4	1.126	-0.626	0.965
H5	1.285	-0.531	-0.864
H6	-1.140	-0.613	0.761

	C1	N2	O3	H4	H5	H6
C1		1.4350	1.3938	1.0857	1.0835	1.9915
N2	1.4350		1.4930	2.1825	2.1400	1.0221
O3	1.3938	1.4930		2.1075	2.1102	1.9874
H4	1.0857	2.1825	2.1075		1.8387	2.2759
H5	1.0835	2.1400	2.1102	1.8387		2.9210
H6	1.9915	1.0221	1.9874	2.2759	2.9210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.812	C1	N2	H6	107.091
C1	O3	N2	59.498	N2	C1	O3	63.689
N2	C1	H4	119.308	N2	C1	H5	115.660
O3	C1	H4	115.856	O3	C1	H5	116.260
O3	N2	H6	102.802	H4	C1	H5	115.913

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

using model chemistry: CCSD=FULL/TZVP

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: CCSD=FULL/TZVP

States and conformations

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