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	hartrees
Energy at 0K	-186.986443
Energy at 298.15K	-186.988755
HF Energy	-186.986443
Nuclear repulsion energy	68.041760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3605	3183	3.59
2	A'	3389	2992	57.85
3	A'	1562	1379	11.45
4	A'	1473	1300	21.97
5	A'	1292	1141	5.06
6	A'	1135	1002	9.01
7	A'	507	448	1.24
8	A"	681	601	23.06
9	A"	567	501	42.46

Atom	x (Å)	y (Å)
O1	0.000	0.477
C2	1.102	-0.281
H3	1.027	-1.375
H4	2.050	0.266
O5	-1.211	-0.127

	O1	C2	H3	H4	O5
O1		1.3375	2.1178	2.0606	1.3532
C2	1.3375		1.0963	1.0944	2.3181
H3	2.1178	1.0963		1.9333	2.5629
H4	2.0606	1.0944	1.9333		3.2844
O5	1.3532	2.3181	2.5629	3.2844

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	120.631		O1	C2	H4	115.483
C2	O1	O5	118.976		H3	C2	H4	123.886

All results from a given calculation for H₂COO (Dioxymethyl radical)

using model chemistry: B1B95/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	O	-0.003
2	C	-0.065
3	H	0.103
4	H	0.104
5	O	-0.138

	x	y	z	Total
	1.878	-0.373	0.000	1.914
CHELPG
AIM
ESP

	x	y	z
x	3.768	-0.147	0.000
y	-0.147	1.125	0.000
z	0.000	0.000	0.458

<r²>	38.089
(<r²>)^1/2	6.172

All results from a given calculation for H2COO (Dioxymethyl radical)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for H₂COO (Dioxymethyl radical)