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	hartrees
Energy at 0K	-169.320318
Energy at 298.15K	-169.324723
HF Energy	-168.813518
Nuclear repulsion energy	74.469610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3492	3263	1.24
2	A	3290	3074	26.78
3	A	3181	2973	25.02
4	A	1604	1499	3.52
5	A	1382	1292	24.05
6	A	1289	1204	26.26
7	A	1269	1186	13.09
8	A	1244	1162	2.87
9	A	1108	1036	13.78
10	A	994	929	18.68
11	A	932	871	25.08
12	A	759	709	2.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.682	-0.345	0.017
N2	-0.741	-0.445	-0.160
O3	-0.021	0.871	0.018
H4	1.127	-0.637	0.963
H5	1.275	-0.556	-0.864
H6	-1.141	-0.591	0.771

	C1	N2	O3	H4	H5	H6
C1		1.4379	1.4051	1.0849	1.0826	1.9879
N2	1.4379		1.5114	2.1882	2.1384	1.0232
O3	1.4051	1.5114		2.1177	2.1199	1.9898
H4	1.0849	2.1882	2.1177		1.8343	2.2768
H5	1.0826	2.1384	2.1199	1.8343		2.9171
H6	1.9879	1.0232	1.9898	2.2768	2.9171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.838	C1	N2	H6	106.539
C1	O3	N2	58.944	N2	C1	O3	64.219
N2	C1	H4	119.651	N2	C1	H5	115.355
O3	C1	H4	115.938	O3	C1	H5	116.290
O3	N2	H6	101.720	H4	C1	H5	115.618

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

using model chemistry: MP2=FULL/6-31G**

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: MP2=FULL/6-31G**

States and conformations

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