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	hartrees
Energy at 0K	-168.218079
Energy at 298.15K	-168.222320
HF Energy	-167.842297
Nuclear repulsion energy	70.509756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3215	3146
2	A	3168	3101
3	A	3103	3037
4	A	1591	1558
5	A	1358	1330
6	A	1202	1176
7	A	1167	1143
8	A	1052	1030
9	A	1033	1011
10	A	942	922
11	A	734	719
12	A	656	642

Atom	x (Å)	y (Å)	z (Å)
C1	0.656	-0.471	0.019
N2	-0.850	-0.370	-0.157
O3	0.128	0.930	0.011
H4	1.061	-0.822	0.969
H5	1.184	-0.788	-0.876
H6	-1.255	-0.408	0.807

	C1	N2	O3	H4	H5	H6
C1		1.5196	1.4975	1.0904	1.0867	2.0679
N2	1.5196		1.6347	2.2635	2.1973	1.0465
O3	1.4975	1.6347		2.2040	2.2034	2.0820
H4	1.0904	2.2635	2.2040		1.8498	2.3579
H5	1.0867	2.1973	2.2034	1.8498		2.9875
H6	2.0679	1.0465	2.0820	2.3579	2.9875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.544	C1	N2	H6	105.912
C1	O3	N2	57.845	N2	C1	O3	65.611
N2	C1	H4	119.367	N2	C1	H5	113.900
O3	C1	H4	115.889	O3	C1	H5	116.094
O3	N2	H6	99.544	H4	C1	H5	116.344

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

using model chemistry: MP4=FULL/3-21G

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=FULL/3-21G

States and conformations

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