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	hartrees
Energy at 0K	-169.412537
Energy at 298.15K	-169.416954
HF Energy	-168.869340
Nuclear repulsion energy	74.857202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3450	3292	2.50
2	A	3231	3084	24.05
3	A	3134	2991	27.43
4	A	1587	1514	2.74
5	A	1362	1300	17.98
6	A	1299	1240	32.53
7	A	1279	1221	8.21
8	A	1256	1199	3.70
9	A	1118	1067	11.02
10	A	997	952	18.33
11	A	923	881	32.87
12	A	767	732	4.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.686	-0.336	0.017
N2	-0.735	-0.443	-0.161
O3	-0.030	0.861	0.021
H4	1.127	-0.627	0.966
H5	1.286	-0.533	-0.865
H6	-1.141	-0.612	0.762

	C1	N2	O3	H4	H5	H6
C1		1.4361	1.3947	1.0865	1.0842	1.9922
N2	1.4361		1.4942	2.1841	2.1415	1.0225
O3	1.3947	1.4942		2.1088	2.1116	1.9883
H4	1.0865	2.1841	2.1088		1.8400	2.2767
H5	1.0842	2.1415	2.1116	1.8400		2.9224
H6	1.9922	1.0225	1.9883	2.2767	2.9224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.802	C1	N2	H6	107.051
C1	O3	N2	59.498	N2	C1	O3	63.700
N2	C1	H4	119.309	N2	C1	H5	115.657
O3	C1	H4	115.849	O3	C1	H5	116.261
O3	N2	H6	102.771	H4	C1	H5	115.915

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

using model chemistry: CCSD/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/TZVP

States and conformations

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