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	hartrees
Energy at 0K	-169.408435
Energy at 298.15K	-169.412784
HF Energy	-168.834477
Nuclear repulsion energy	73.694977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3377	3276
2	A	3196	3101
3	A	3094	3002
4	A	1525	1479
5	A	1344	1304
6	A	1245	1208
7	A	1226	1189
8	A	1207	1171
9	A	1074	1042
10	A	964	935
11	A	887	860
12	A	684	664

Atom	x (Å)	y (Å)	z (Å)
C1	0.668	-0.383	0.017
N2	-0.774	-0.413	-0.161
O3	0.030	0.880	0.018
H4	1.098	-0.697	0.979
H5	1.253	-0.622	-0.879
H6	-1.180	-0.535	0.781

	C1	N2	O3	H4	H5	H6
C1		1.4531	1.4145	1.0990	1.0970	2.0047
N2	1.4531		1.5329	2.2100	2.1607	1.0327
O3	1.4145	1.5329		2.1331	2.1349	2.0114
H4	1.0990	2.2100	2.1331		1.8654	2.2920
H5	1.0970	2.1607	2.1349	1.8654		2.9463
H6	2.0047	1.0327	2.0114	2.2920	2.9463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.476	C1	N2	H6	106.267
C1	O3	N2	58.915	N2	C1	O3	64.609
N2	C1	H4	119.335	N2	C1	H5	115.120
O3	C1	H4	115.563	O3	C1	H5	115.855
O3	N2	H6	101.469	H4	C1	H5	116.301

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

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

States and conformations

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