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	hartrees
Energy at 0K	-169.535078
Energy at 298.15K	-169.539492
HF Energy	-168.876497
Nuclear repulsion energy	75.010128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3467	3291	1.07
2	A	3248	3084	17.44
3	A	3159	2999	25.88
4	A	1571	1491	0.96
5	A	1370	1300	23.48
6	A	1282	1217	30.98
7	A	1262	1199	12.11
8	A	1241	1178	3.41
9	A	1108	1052	10.88
10	A	988	938	18.55
11	A	929	882	27.54
12	A	769	730	2.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.684	-0.335	0.017
N2	-0.731	-0.448	-0.160
O3	-0.032	0.862	0.019
H4	1.123	-0.621	0.961
H5	1.274	-0.532	-0.864
H6	-1.124	-0.606	0.766

	C1	N2	O3	H4	H5	H6
C1		1.4303	1.3950	1.0800	1.0782	1.9761
N2	1.4303		1.4954	2.1732	2.1265	1.0189
O3	1.3950	1.4954		2.1025	2.1050	1.9765
H4	1.0800	2.1732	2.1025		1.8336	2.2553
H5	1.0782	2.1265	2.1050	1.8336		2.9009
H6	1.9761	1.0189	1.9765	2.2553	2.9009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.905	C1	N2	H6	106.366
C1	O3	N2	59.196	N2	C1	O3	63.898
N2	C1	H4	119.273	N2	C1	H5	115.214
O3	C1	H4	115.729	O3	C1	H5	116.073
O3	N2	H6	101.975	H4	C1	H5	116.332

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVTZ

States and conformations

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