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	hartrees
Energy at 0K	-169.487019
Energy at 298.15K	-169.491397
HF Energy	-168.867680
Nuclear repulsion energy	74.417318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3409	3259
2	A	3208	3067
3	A	3109	2972
4	A	1571	1502
5	A	1343	1284
6	A	1271	1215
7	A	1249	1194
8	A	1236	1182
9	A	1100	1051
10	A	983	940
11	A	898	858
12	A	716	684

Atom	x (Å)	y (Å)	z (Å)
C1	0.672	-0.365	0.017
N2	-0.759	-0.420	-0.161
O3	0.011	0.870	0.020
H4	1.100	-0.675	0.967
H5	1.260	-0.592	-0.867
H6	-1.164	-0.562	0.770

	C1	N2	O3	H4	H5	H6
C1		1.4430	1.4006	1.0877	1.0853	1.9946
N2	1.4430		1.5126	2.1898	2.1455	1.0252
O3	1.4006	1.5126		2.1148	2.1170	1.9987
H4	1.0877	2.1898	2.1148		1.8428	2.2763
H5	1.0853	2.1455	2.1170	1.8428		2.9252
H6	1.9946	1.0252	1.9987	2.2763	2.9252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.515	C1	N2	H6	106.596
C1	O3	N2	59.232	N2	C1	O3	64.253
N2	C1	H4	119.175	N2	C1	H5	115.400
O3	C1	H4	115.828	O3	C1	H5	116.201
O3	N2	H6	102.205	H4	C1	H5	116.003

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

using model chemistry: CCSD(T)=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(T)=FULL/TZVP

States and conformations

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