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	hartrees
Energy at 0K	-265.830514
Energy at 298.15K
Nuclear repulsion energy

Atom	x (Å)	y (Å)	z (Å)
H1	0.732	0.424	-0.003
O2	-0.188	0.755	-0.001
O3	2.410	-0.237	0.000
C4	-1.025	-0.294	-0.001
O5	-2.223	-0.181	0.001
H6	-0.507	-1.264	-0.004
H7	2.968	-0.050	-0.761
H8	2.961	-0.045	0.766

	H1	O2	O3	C4	O5	H6	H7	H8
H1		0.9773	1.8038	1.8978	3.0165	2.0944	2.4081	2.4047
O2	0.9773		2.7809	1.3422	2.2406	2.0445	3.3442	3.3385
O3	1.8038	2.7809		3.4353	4.6336	3.0930	0.9626	0.9626
C4	1.8978	1.3422	3.4353		1.2037	1.0995	4.0715	4.0668
O5	3.0165	2.2406	4.6336	1.2037		2.0289	5.2483	5.2424
H6	2.0944	2.0445	3.0930	1.0995	2.0289		3.7583	3.7564
H7	2.4081	3.3442	0.9626	4.0715	5.2483	3.7583		1.5274
H8	2.4047	3.3385	0.9626	4.0668	5.2424	3.7564	1.5274

Number	Element	Mulliken
1	H	0.349
2	O	-0.361
3	O	-0.421
4	C	0.032
5	O	-0.596
6	H	0.547
7	H	0.225
8	H	0.225

	x	y	z	Total
	7.099	-1.049	-0.004	7.176
CHELPG
AIM
ESP

All results from a given calculation for HCOOHH₂O (Formic acid water dimer)

using model chemistry: MP2_cp/aug-cc-pVTZ

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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<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for HCOOHH2O (Formic acid water dimer)

using model chemistry: MP2_cp/aug-cc-pVTZ

States and conformations

All results from a given calculation for HCOOHH₂O (Formic acid water dimer)