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	hartrees
Energy at 0K	-189.638136
Energy at 298.15K	-189.640817
HF Energy	-189.638136
Nuclear repulsion energy	69.771590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3616	3580	42.35
2	A'	2964	2934	44.18
3	A'	1765	1747	335.39
4	A'	1351	1338	1.14
5	A'	1259	1246	7.45
6	A'	1084	1073	232.06
7	A'	606	599	38.68
8	A"	1004	994	4.08
9	A"	679	673	123.70

Atom	x (Å)	y (Å)
C1	0.000	0.422
O2	-1.037	-0.445
O3	1.167	0.115
H4	-0.389	1.458
H5	-0.650	-1.345

	C1	O2	O3	H4	H5
C1		1.3521	1.2068	1.1066	1.8827
O2	1.3521		2.2742	2.0107	0.9794
O3	1.2068	2.2742		2.0558	2.3304
H4	1.1066	2.0107	2.0558		2.8150
H5	1.8827	0.9794	2.3304	2.8150

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	106.604		O2	C1	O3	125.331
O2	C1	H4	109.317		O3	C1	H4	125.352

All results from a given calculation for HCOOH (Formic acid)

using model chemistry: PBEPBE/6-311+G(3df,2pd)

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	0.698
2	O	-0.357
3	O	-0.578
4	H	0.056
5	H	0.181

	x	y	z	Total
	-1.466	-0.320	0.000	1.500
CHELPG
AIM
ESP

	x	y	z
x	4.252	0.137	0.000
y	0.137	3.744	0.000
z	0.000	0.000	2.402

<r²>	37.735
(<r²>)^1/2	6.143