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	hartrees
Energy at 0K	-168.611075
Energy at 298.15K	-168.615361
HF Energy	-168.493308
Nuclear repulsion energy	71.463959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3266	3266	29.58
2	A	3235	3235	0.35
3	A	3151	3151	13.15
4	A	1600	1600	1.22
5	A	1371	1371	24.38
6	A	1215	1215	25.54
7	A	1186	1186	2.02
8	A	1108	1108	6.92
9	A	1048	1048	13.82
10	A	957	957	17.76
11	A	745	745	9.93
12	A	714	714	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.688	-0.409	0.019
N2	-0.800	-0.430	-0.158
O3	0.041	0.922	0.012
H4	1.116	-0.720	0.966
H5	1.242	-0.675	-0.870
H6	-1.211	-0.514	0.795

	C1	N2	O3	H4	H5	H6
C1		1.4980	1.4799	1.0845	1.0810	2.0538
N2	1.4980		1.6008	2.2396	2.1759	1.0410
O3	1.4799	1.6008		2.1821	2.1845	2.0595
H4	1.0845	2.2396	2.1821		1.8406	2.3424
H5	1.0810	2.1759	2.1845	1.8406		2.9688
H6	2.0538	1.0410	2.0595	2.3424	2.9688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.936	C1	N2	H6	106.591
C1	O3	N2	58.029	N2	C1	O3	65.035
N2	C1	H4	119.414	N2	C1	H5	114.091
O3	C1	H4	115.771	O3	C1	H5	116.216
O3	N2	H6	100.289	H4	C1	H5	116.420

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/3-21G*

States and conformations

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