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	hartrees
Energy at 0K	-265.461467
Energy at 298.15K	-265.466514
HF Energy	-264.784634
Counterpoise corrected energy	-265.454463
CP Energy at 298.15K	-265.459215
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	123.622154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3854	3634	99.10
2	A	3666	3457	158.16
3	A	3319	3130	564.51
4	A	3162	2982	96.65
5	A	1808	1705	260.71
6	A	1744	1644	141.06
7	A	1504	1418	1.41
8	A	1430	1348	12.31
9	A	1252	1181	218.42
10	A	1093	1031	26.90
11	A	981	925	152.03
12	A	723	682	162.39
13	A	654	617	173.89
14	A	382	360	101.10
15	A	303	286	80.76
16	A	250	236	41.29
17	A	202	190	26.46
18	A	197	186	7.88

Atom	x (Å)	y (Å)	z (Å)
H1	0.395	0.979	0.033
O2	-0.589	1.140	0.013
O3	1.886	0.032	-0.076
C4	-1.191	-0.048	-0.003
O5	-0.648	-1.145	0.023
H6	-2.279	0.080	-0.040
H7	2.483	-0.226	0.642
H8	1.357	-0.760	-0.294

	H1	O2	O3	C4	O5	H6	H7	H8
H1		0.9974	1.7692	1.8903	2.3669	2.8229	2.4865	2.0140
O2	0.9974		2.7127	1.3322	2.2864	1.9964	3.4204	2.7368
O3	1.7692	2.7127		3.0786	2.7952	4.1654	0.9686	0.9770
C4	1.8903	1.3322	3.0786		1.2249	1.0964	3.7347	2.6614
O5	2.3669	2.2864	2.7952	1.2249		2.0415	3.3213	2.0656
H6	2.8229	1.9964	4.1654	1.0964	2.0415		4.8208	3.7406
H7	2.4865	3.4204	0.9686	3.7347	3.3213	4.8208		1.5589
H8	2.0140	2.7368	0.9770	2.6614	2.0656	3.7406	1.5589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	C4	107.603	H1	O3	H7	128.097
H1	O3	H8	89.529	O2	H1	O3	156.392
O2	C4	O5	126.744	O2	C4	H6	110.202
O5	C4	H6	123.053	H7	O3	H8	106.497

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

using model chemistry: MP2/6-31G*

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

using model chemistry: MP2/6-31G*

States and conformations

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