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	hartrees
Energy at 0K	-168.919027
Energy at 298.15K	-168.923399
HF Energy	-168.919027
Nuclear repulsion energy	74.973042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3293	3244	3.58
2	A	3105	3058	17.06
3	A	3007	2962	25.11
4	A	1483	1461	2.44
5	A	1319	1299	18.08
6	A	1269	1250	32.36
7	A	1211	1193	16.13
8	A	1150	1132	2.46
9	A	1045	1030	12.67
10	A	939	925	29.30
11	A	912	898	20.23
12	A	794	782	8.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.708	-0.292	0.017
N2	-0.702	-0.478	-0.165
O3	-0.092	0.850	0.023
H4	1.176	-0.557	0.979
H5	1.326	-0.451	-0.879
H6	-1.105	-0.691	0.768

	C1	N2	O3	H4	H5	H6
C1		1.4339	1.3936	1.1022	1.0999	2.0031
N2	1.4339		1.4736	2.2003	2.1506	1.0383
O3	1.3936	1.4736		2.1210	2.1249	1.9888
H4	1.1022	2.2003	2.1210		1.8666	2.2951
H5	1.0999	2.1506	2.1249	1.8666		2.9467
H6	2.0031	1.0383	1.9888	2.2951	2.9467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.259	C1	N2	H6	107.154
C1	O3	N2	59.936	N2	C1	O3	62.805
N2	C1	H4	119.788	N2	C1	H5	115.524
O3	C1	H4	115.901	O3	C1	H5	116.412
O3	N2	H6	103.336	H4	C1	H5	115.916

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

using model chemistry: LSDA/6-31+G**

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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Number	Element	Mulliken
1	C	-0.106
2	N	-0.353
3	O	-0.218
4	H	0.174
5	H	0.186
6	H	0.318

	x	y	z	Total
	1.348	-1.619	1.605	2.649
CHELPG
AIM
ESP

	x	y	z
x	3.980	0.005	-0.053
y	0.005	3.303	-0.110
z	-0.053	-0.110	3.258

<r²>	33.523
(<r²>)^1/2	5.790

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

using model chemistry: LSDA/6-31+G**

States and conformations

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