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	hartrees
Energy at 0K	-169.400174
Energy at 298.15K	-169.404522
HF Energy	-168.834323
Nuclear repulsion energy	73.662455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3376	3250
2	A	3192	3073
3	A	3091	2975
4	A	1523	1466
5	A	1344	1293
6	A	1244	1197
7	A	1225	1179
8	A	1205	1160
9	A	1073	1033
10	A	962	926
11	A	886	853
12	A	684	659

Atom	x (Å)	y (Å)	z (Å)
C1	0.669	-0.381	0.017
N2	-0.774	-0.414	-0.161
O3	0.028	0.880	0.018
H4	1.100	-0.695	0.979
H5	1.255	-0.620	-0.879
H6	-1.179	-0.537	0.781

	C1	N2	O3	H4	H5	H6
C1		1.4543	1.4149	1.0998	1.0978	2.0060
N2	1.4543		1.5331	2.2118	2.1623	1.0333
O3	1.4149	1.5331		2.1342	2.1360	2.0119
H4	1.0998	2.2118	2.1342		1.8666	2.2936
H5	1.0978	2.1623	2.1360	1.8666		2.9482
H6	2.0060	1.0333	2.0119	2.2936	2.9482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.467	C1	N2	H6	106.256
C1	O3	N2	58.954	N2	C1	O3	64.579
N2	C1	H4	119.342	N2	C1	H5	115.119
O3	C1	H4	115.570	O3	C1	H5	115.871
O3	N2	H6	101.460	H4	C1	H5	116.296

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

using model chemistry: CCSD(T)/aug-cc-pVDZ

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(T)/aug-cc-pVDZ

States and conformations

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