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	hartrees
Energy at 0K	-167.309322
Energy at 298.15K
HF Energy	-167.248962
Nuclear repulsion energy	72.119785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3509	3509	2.66
2	A	3394	3394	30.79
3	A	3349	3349	2.02
4	A	1647	1647	1.13
5	A	1450	1450	17.68
6	A	1341	1341	1.56
7	A	1299	1299	13.75
8	A	1209	1209	3.45
9	A	1097	1097	5.34
10	A	1002	1002	0.95
11	A	986	986	7.26
12	A	947	947	4.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.778	-0.238	0.012
N2	-0.697	-0.548	-0.174
O3	-0.183	0.865	0.028
H4	1.273	-0.493	0.969
H5	1.413	-0.346	-0.887
H6	-1.011	-0.810	0.833

	C1	N2	O3	H4	H5	H6
C1		1.5189	1.4631	1.1070	1.1055	2.0501
N2	1.5189		1.5172	2.2780	2.2364	1.0865
O3	1.4631	1.5172		2.2015	2.2025	2.0340
H4	1.1070	2.2780	2.2015		1.8669	2.3100
H5	1.1055	2.2364	2.2025	1.8669		3.0082
H6	2.0501	1.0865	2.0340	2.3100	3.0082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.620	C1	N2	H6	102.520
C1	O3	N2	61.248	N2	C1	O3	61.132
N2	C1	H4	119.515	N2	C1	H5	115.999
O3	C1	H4	117.196	O3	C1	H5	117.385
O3	N2	H6	101.456	H4	C1	H5	115.083

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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: B2PLYP=FULLultrafine/STO-3G

States and conformations

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