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	hartrees
Energy at 0K	-169.446549
Energy at 298.15K	-169.451000
HF Energy	-168.855736
Nuclear repulsion energy	75.293624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3504	3504	1.25
2	A	3251	3251	26.44
3	A	3154	3154	24.84
4	A	1586	1586	2.41
5	A	1394	1394	22.77
6	A	1335	1335	28.99
7	A	1296	1296	14.36
8	A	1257	1257	0.85
9	A	1129	1129	9.79
10	A	1001	1001	18.34
11	A	961	961	30.83
12	A	825	825	3.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.702	-0.303	0.015
N2	-0.714	-0.464	-0.162
O3	-0.072	0.848	0.023
H4	1.156	-0.580	0.965
H5	1.309	-0.473	-0.869
H6	-1.105	-0.666	0.758

	C1	N2	O3	H4	H5	H6
C1		1.4355	1.3868	1.0880	1.0857	1.9871
N2	1.4355		1.4718	2.1855	2.1422	1.0202
O3	1.3868	1.4718		2.1052	2.1083	1.9746
H4	1.0880	2.1855	2.1052		1.8430	2.2717
H5	1.0857	2.1422	2.1083	1.8430		2.9174
H6	1.9871	1.0202	1.9746	2.2717	2.9174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.963	C1	N2	H6	106.811
C1	O3	N2	60.201	N2	C1	O3	62.836
N2	C1	H4	119.371	N2	C1	H5	115.660
O3	C1	H4	116.045	O3	C1	H5	116.486
O3	N2	H6	103.321	H4	C1	H5	115.958

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

using model chemistry: MP3=FULL/6-311G**

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: MP3=FULL/6-311G**

States and conformations

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