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	hartrees
Energy at 0K	-265.563147
Energy at 298.15K	-265.567831
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	122.905324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3954	3795
2	A	3782	3629
3	A	3538	3395
4	A	3154	3027
5	A	1780	1708
6	A	1642	1576
7	A	1460	1401
8	A	1400	1343
9	A	1210	1161
10	A	1068	1025
11	A	899	863
12	A	679	652
13	A	538	517
14	A	357	342
15	A	242	232
16	A	211	203
17	A	170	163
18	A	161	154

Atom	x (Å)	y (Å)	z (Å)
H1	0.376	0.979	-0.005
O2	-0.596	1.141	0.006
O3	1.917	0.009	-0.081
C4	-1.219	-0.044	0.009
O5	-0.674	-1.140	0.003
H6	-2.305	0.088	0.018
H7	2.652	-0.060	0.538
H8	1.417	-0.821	-0.022

	H1	O2	O3	C4	O5	H6	H7	H8
H1		0.9852	1.8231	1.8948	2.3651	2.8246	2.5607	2.0800
O2	0.9852		2.7580	1.3390	2.2830	2.0071	3.5039	2.8116
O3	1.8231	2.7580		3.1380	2.8356	4.2237	0.9636	0.9708
C4	1.8948	1.3390	3.1380		1.2245	1.0936	3.9074	2.7485
O5	2.3651	2.2830	2.8356	1.2245		2.0418	3.5380	2.1152
H6	2.8246	2.0071	4.2237	1.0936	2.0418		4.9863	3.8314
H7	2.5607	3.5039	0.9636	3.9074	3.5380	4.9863		1.5555
H8	2.0800	2.8116	0.9708	2.7485	2.1152	3.8314	1.5555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	C4	108.257	H1	O3	H7	130.991
H1	O3	H8	90.972	O2	H1	O3	157.218
O2	C4	O5	125.827	O2	C4	H6	110.790
O5	C4	H6	123.382	H7	O3	H8	107.049

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

using model chemistry: CCSD(T)/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	0.479
2	O	-0.589
3	O	-0.821
4	C	0.583
5	O	-0.613
6	H	0.143
7	H	0.388
8	H	0.430

	x	y	z	Total
	0.581	0.198	1.293	1.431
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: CCSD(T)/6-31+G**

States and conformations

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