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	hartrees
Energy at 0K	-166.663983
Energy at 298.15K	-166.668300
HF Energy	-166.663983
Nuclear repulsion energy	72.167097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3410	3054	1.65
2	A	3262	2921	4.81
3	A	3225	2888	35.56
4	A	1592	1426	1.02
5	A	1409	1262	16.74
6	A	1335	1196	3.27
7	A	1251	1120	12.99
8	A	1158	1037	7.99
9	A	1066	955	5.79
10	A	1002	898	0.30
11	A	957	857	4.45
12	A	919	823	7.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.776	-0.238	0.011
N2	-0.702	-0.542	-0.176
O3	-0.177	0.863	0.030
H4	1.270	-0.506	0.969
H5	1.412	-0.357	-0.890
H6	-1.002	-0.816	0.845

	C1	N2	O3	H4	H5	H6
C1		1.5203	1.4565	1.1108	1.1091	2.0470
N2	1.5203		1.5135	2.2809	2.2390	1.0987
O3	1.4565	1.5135		2.2024	2.2045	2.0399
H4	1.1108	2.2809	2.2024		1.8702	2.2968
H5	1.1091	2.2390	2.2045	1.8702		3.0080
H6	2.0470	1.0987	2.0399	2.2968	3.0080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.382	C1	N2	H6	101.597
C1	O3	N2	61.543	N2	C1	O3	61.075
N2	C1	H4	119.381	N2	C1	H5	115.872
O3	C1	H4	117.525	O3	C1	H5	117.827
O3	N2	H6	101.508	H4	C1	H5	114.798

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

using model chemistry: LSDA/STO-3G

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	-0.081
2	N	-0.199
3	O	-0.108
4	H	0.105
5	H	0.115
6	H	0.168

	x	y	z	Total
	1.163	-0.784	1.441	2.010
CHELPG
AIM
ESP

	x	y	z
x	2.193	0.047	-0.223
y	0.047	1.452	-0.191
z	-0.223	-0.191	1.384

<r²>	34.072
(<r²>)^1/2	5.837

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

using model chemistry: LSDA/STO-3G

States and conformations

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