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	hartrees
Energy at 0K	-169.400869
Energy at 298.15K	-169.405214
HF Energy	-168.834177
Nuclear repulsion energy	73.631768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3373	3299
2	A	3191	3120
3	A	3089	3021
4	A	1522	1488
5	A	1342	1313
6	A	1242	1215
7	A	1223	1196
8	A	1204	1177
9	A	1072	1048
10	A	961	940
11	A	884	864
12	A	682	667

Atom	x (Å)	y (Å)	z (Å)
C1	0.668	-0.383	0.017
N2	-0.775	-0.413	-0.161
O3	0.030	0.881	0.018
H4	1.099	-0.697	0.979
H5	1.254	-0.623	-0.880
H6	-1.180	-0.534	0.782

	C1	N2	O3	H4	H5	H6
C1		1.4546	1.4156	1.0999	1.0979	2.0061
N2	1.4546		1.5343	2.2121	2.1626	1.0335
O3	1.4156	1.5343		2.1348	2.1366	2.0126
H4	1.0999	2.2121	2.1348		1.8669	2.2937
H5	1.0979	2.1626	2.1366	1.8669		2.9485
H6	2.0061	1.0335	2.0126	2.2937	2.9485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.464	C1	N2	H6	106.237
C1	O3	N2	58.926	N2	C1	O3	64.609
N2	C1	H4	119.337	N2	C1	H5	115.116
O3	C1	H4	115.559	O3	C1	H5	115.860
O3	N2	H6	101.428	H4	C1	H5	116.303

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

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

States and conformations

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