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	hartrees
Energy at 0K	-265.526085
Energy at 298.15K	-265.530818
HF Energy	-264.817753
Counterpoise corrected energy	-265.522696
CP Energy at 298.15K	-265.527208
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	123.083743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3969	3733	124.92
2	A	3776	3551	112.10
3	A	3485	3278	578.22
4	A	3188	2999	60.10
5	A	1775	1670	329.62
6	A	1625	1529	170.25
7	A	1462	1375	0.59
8	A	1397	1314	14.69
9	A	1220	1148	251.40
10	A	1080	1016	16.41
11	A	915	860	164.04
12	A	684	643	41.94
13	A	544	512	153.69
14	A	359	338	95.27
15	A	253	238	126.73
16	A	214	201	14.90
17	A	180	169	50.23
18	A	161	151	13.05

Atom	x (Å)	y (Å)	z (Å)
H1	0.388	0.969	0.003
O2	-0.586	1.141	0.007
O3	1.906	0.004	-0.081
C4	-1.216	-0.038	0.006
O5	-0.679	-1.140	0.005
H6	-2.298	0.104	0.008
H7	2.659	-0.057	0.517
H8	1.415	-0.831	-0.013

	H1	O2	O3	C4	O5	H6	H7	H8
H1		0.9883	1.8012	1.8937	2.3640	2.8221	2.5453	2.0727
O2	0.9883		2.7402	1.3368	2.2831	2.0024	3.4964	2.8090
O3	1.8012	2.7402		3.1236	2.8287	4.2067	0.9637	0.9715
C4	1.8937	1.3368	3.1236		1.2260	1.0918	3.9087	2.7477
O5	2.3640	2.2831	2.8287	1.2260		2.0419	3.5470	2.1168
H6	2.8221	2.0024	4.2067	1.0918	2.0419		4.9864	3.8291
H7	2.5453	3.4964	0.9637	3.9087	3.5470	4.9864		1.5583
H8	2.0727	2.8090	0.9715	2.7477	2.1168	3.8291	1.5583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	C4	108.130	H1	O3	H7	131.612
H1	O3	H8	91.773	O2	H1	O3	157.445
O2	C4	O5	125.907	O2	C4	H6	110.674
O5	C4	H6	123.419	H7	O3	H8	107.271

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

using model chemistry: MP2/6-31+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	H	0.482
2	O	-0.590
3	O	-0.822
4	C	0.584
5	O	-0.616
6	H	0.142
7	H	0.388
8	H	0.431

	x	y	z	Total
	0.687	0.220	1.266	1.457
CHELPG
AIM
ESP

	x	y	z
x	4.845	-0.101	0.163
y	-0.101	2.910	-0.163
z	0.163	-0.163	4.731

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: MP2/6-31+G**

States and conformations

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