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	hartrees
Energy at 0K	-168.952735
Energy at 298.15K	-168.957114
HF Energy	-168.952735
Nuclear repulsion energy	75.178451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3279	3238	2.45
2	A	3074	3037	23.58
3	A	2982	2946	28.74
4	A	1478	1460	1.59
5	A	1326	1310	18.93
6	A	1276	1261	36.96
7	A	1211	1196	15.02
8	A	1143	1129	3.14
9	A	1047	1034	12.02
10	A	939	928	25.78
11	A	913	902	19.09
12	A	792	783	7.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.702	-0.296	0.016
N2	-0.707	-0.470	-0.165
O3	-0.080	0.849	0.023
H4	1.164	-0.575	0.975
H5	1.318	-0.467	-0.877
H6	-1.104	-0.678	0.769

	C1	N2	O3	H4	H5	H6
C1		1.4304	1.3861	1.1007	1.0984	1.9933
N2	1.4304		1.4721	2.1936	2.1459	1.0364
O3	1.3861	1.4721		2.1167	2.1202	1.9840
H4	1.1007	2.1936	2.1167		1.8615	2.2802
H5	1.0984	2.1459	2.1202	1.8615		2.9359
H6	1.9933	1.0364	1.9840	2.2802	2.9359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.030	C1	N2	H6	106.725
C1	O3	N2	59.969	N2	C1	O3	63.002
N2	C1	H4	119.577	N2	C1	H5	115.495
O3	C1	H4	116.204	O3	C1	H5	116.690
O3	N2	H6	103.169	H4	C1	H5	115.658

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.073
2	N	-0.244
3	O	-0.230
4	H	0.151
5	H	0.163
6	H	0.234

	x	y	z	Total
	1.208	-1.562	1.524	2.494
CHELPG
AIM
ESP

	x	y	z
x	3.707	-0.048	-0.140
y	-0.048	2.854	-0.145
z	-0.140	-0.145	2.862

<r²>	33.146
(<r²>)^1/2	5.757

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

using model chemistry: LSDA/6-311G**

States and conformations

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