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	hartrees
Energy at 0K	-169.369297
Energy at 298.15K	-169.373667
HF Energy	-168.817259
Nuclear repulsion energy	74.129927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3450	3450
2	A	3250	3250
3	A	3148	3148
4	A	1584	1584
5	A	1355	1355
6	A	1272	1272
7	A	1250	1250
8	A	1237	1237
9	A	1099	1099
10	A	982	982
11	A	905	905
12	A	706	706

Atom	x (Å)	y (Å)	z (Å)
C1	0.670	-0.374	0.017
N2	-0.763	-0.420	-0.160
O3	0.018	0.876	0.018
H4	1.102	-0.678	0.967
H5	1.255	-0.606	-0.865
H6	-1.176	-0.547	0.770

	C1	N2	O3	H4	H5	H6
C1		1.4444	1.4095	1.0868	1.0843	2.0005
N2	1.4444		1.5232	2.1944	2.1461	1.0252
O3	1.4095	1.5232		2.1198	2.1229	2.0041
H4	1.0868	2.1944	2.1198		1.8396	2.2902
H5	1.0843	2.1461	2.1229	1.8396		2.9303
H6	2.0005	1.0252	2.0041	2.2902	2.9303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.640	C1	N2	H6	106.975
C1	O3	N2	58.858	N2	C1	O3	64.502
N2	C1	H4	119.544	N2	C1	H5	115.407
O3	C1	H4	115.635	O3	C1	H5	116.089
O3	N2	H6	101.925	H4	C1	H5	115.839

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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: QCISD(T)=FULL/6-31+G**

States and conformations

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