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	hartrees
Energy at 0K	-169.486578
Energy at 298.15K
HF Energy	-169.365808
Nuclear repulsion energy	71.845362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3370	3370	7.12
2	A	3270	3270	20.08
3	A	3156	3156	15.59
4	A	1586	1586	0.52
5	A	1358	1358	20.74
6	A	1245	1245	13.70
7	A	1192	1192	11.18
8	A	1138	1138	17.58
9	A	1054	1054	15.17
10	A	972	972	25.71
11	A	787	787	18.68
12	A	631	631	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.573	-0.533	0.022
N2	-0.858	-0.274	-0.155
O3	0.234	0.898	0.010
H4	0.944	-0.909	0.971
H5	1.079	-0.901	-0.862
H6	-1.325	-0.258	0.765

	C1	N2	O3	H4	H5	H6
C1		1.4648	1.4713	1.0864	1.0825	2.0568
N2	1.4648		1.6100	2.2182	2.1553	1.0323
O3	1.4713	1.6100		2.1665	2.1709	2.0823
H4	1.0864	2.2182	2.1665		1.8376	2.3699
H5	1.0825	2.1553	2.1709	1.8376		2.9733
H6	2.0568	1.0323	2.0823	2.3699	2.9733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.939	C1	N2	H6	109.690
C1	O3	N2	56.553	N2	C1	O3	66.507
N2	C1	H4	120.061	N2	C1	H5	114.748
O3	C1	H4	114.953	O3	C1	H5	115.596
O3	N2	H6	101.767	H4	C1	H5	115.823

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G

States and conformations

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