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	hartrees
Energy at 0K	-265.588281
Energy at 298.15K	-265.593262
HF Energy	-264.857818
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	124.160869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3961	3764	84.19
2	A	3783	3595	82.34
3	A	3424	3254	539.33
4	A	3128	2973	84.47
5	A	1810	1720	237.55
6	A	1748	1661	238.07
7	A	1511	1436	1.97
8	A	1422	1351	9.79
9	A	1250	1188	236.92
10	A	1095	1041	35.24
11	A	984	935	173.20
12	A	717	681	69.33
13	A	597	567	212.07
14	A	386	367	129.15
15	A	276	262	36.30
16	A	255	242	85.99
17	A	197	187	62.97
18	A	181	172	6.91

Atom	x (Å)	y (Å)	z (Å)
H1	0.405	0.967	0.033
O2	-0.566	1.134	0.011
O3	1.887	0.016	-0.071
C4	-1.192	-0.035	-0.003
O5	-0.675	-1.135	0.025
H6	-2.277	0.115	-0.042
H7	2.484	-0.230	0.636
H8	1.375	-0.761	-0.329

	H1	O2	O3	C4	O5	H6	H7	H8
H1		0.9853	1.7642	1.8856	2.3636	2.8149	2.4738	2.0152
O2	0.9853		2.6969	1.3260	2.2719	1.9921	3.3989	2.7343
O3	1.7642	2.6969		3.0802	2.8102	4.1651	0.9574	0.9657
C4	1.8856	1.3260	3.0802		1.2164	1.0958	3.7361	2.6880
O5	2.3636	2.2719	2.8102	1.2164		2.0334	3.3418	2.1137
H6	2.8149	1.9921	4.1651	1.0958	2.0334		4.8210	3.7668
H7	2.4738	3.3989	0.9574	3.7361	3.3418	4.8210		1.5626
H8	2.0152	2.7343	0.9657	2.6880	2.1137	3.7668	1.5626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	C4	108.444	H1	O3	H7	128.229
H1	O3	H8	90.268	O2	H1	O3	156.594
O2	C4	O5	126.611	O2	C4	H6	110.330
O5	C4	H6	123.059	H7	O3	H8	108.684

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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