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	hartrees
Energy at 0K	-169.552528
Energy at 298.15K	-169.556888
HF Energy	-168.876655
Nuclear repulsion energy	74.185223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3400	3309
2	A	3193	3108
3	A	3094	3011
4	A	1537	1496
5	A	1351	1315
6	A	1246	1213
7	A	1229	1196
8	A	1210	1178
9	A	1081	1052
10	A	970	944
11	A	889	865
12	A	700	681

Atom	x (Å)	y (Å)	z (Å)
C1	0.668	-0.374	0.017
N2	-0.762	-0.419	-0.160
O3	0.018	0.876	0.018
H4	1.096	-0.679	0.970
H5	1.251	-0.604	-0.870
H6	-1.166	-0.545	0.774

	C1	N2	O3	H4	H5	H6
C1		1.4425	1.4089	1.0876	1.0857	1.9913
N2	1.4425		1.5225	2.1905	2.1425	1.0251
O3	1.4089	1.5225		2.1182	2.1206	1.9981
H4	1.0876	2.1905	2.1182		1.8473	2.2742
H5	1.0857	2.1425	2.1206	1.8473		2.9229
H6	1.9913	1.0251	1.9981	2.2742	2.9229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.664	C1	N2	H6	106.377
C1	O3	N2	58.801	N2	C1	O3	64.534
N2	C1	H4	119.275	N2	C1	H5	115.140
O3	C1	H4	115.484	O3	C1	H5	115.834
O3	N2	H6	101.522	H4	C1	H5	116.417

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

using model chemistry: MP4/aug-cc-pVTZ

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: MP4/aug-cc-pVTZ

States and conformations

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