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	hartrees
Energy at 0K	-189.033664
Energy at 298.15K
HF Energy	-189.033664
Nuclear repulsion energy	62.601543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2947	2805	24.20
2	A'	1733	1649	204.18
3	A'	1357	1291	7.66
4	A'	1073	1021	61.75
5	A'	378i	360i	50.06
6	A"	1004	956	0.02

Atom	x (Å)	y (Å)
C1	0.000	0.360
H2	-0.295	1.431
O3	1.125	-0.070
O4	-1.088	-0.379

	C1	H2	O3	O4
C1		1.1108	1.2044	1.3155
H2	1.1108		2.0661	1.9765
O3	1.2044	2.0661		2.2348
O4	1.3155	1.9765	2.2348

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	126.302		H2	C1	O4	108.802
O3	C1	O4	124.896

All results from a given calculation for HCOO (formate neutral radical)

using model chemistry: mPW1PW91/6-31+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	0.316
2	H	0.164
3	O	-0.407
4	O	-0.073

	x	y	z	Total
	-1.619	1.772	0.000	2.401
CHELPG
AIM
ESP

	x	y	z
x	3.856	-0.028	0.000
y	-0.028	2.660	0.000
z	0.000	0.000	1.718

<r²>	34.320
(<r²>)^1/2	5.858