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	hartrees
Energy at 0K	-265.664511
Energy at 298.15K	-265.669298
HF Energy	-264.903459
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	123.917949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3939	3733	103.95
2	A	3766	3570	107.93
3	A	3429	3250	619.28
4	A	3138	2975	72.31
5	A	1785	1692	313.35
6	A	1613	1529	134.42
7	A	1485	1408	0.65
8	A	1415	1341	12.22
9	A	1226	1162	246.79
10	A	1081	1025	18.42
11	A	922	874	159.18
12	A	701	664	31.95
13	A	531	504	152.96
14	A	365	346	102.34
15	A	265	251	103.24
16	A	226	214	28.06
17	A	182	173	43.15
18	A	157	149	16.58

Atom	x (Å)	y (Å)	z (Å)
H1	0.406	0.938	0.005
O2	-0.563	1.135	0.008
O3	1.891	-0.002	-0.081
C4	-1.208	-0.029	0.006
O5	-0.691	-1.129	0.005
H6	-2.289	0.129	0.006
H7	2.636	-0.086	0.521
H8	1.405	-0.838	-0.020

	H1	O2	O3	C4	O5	H6	H7	H8
H1		0.9883	1.7596	1.8810	2.3403	2.8137	2.5079	2.0380
O2	0.9883		2.7054	1.3301	2.2671	1.9977	3.4621	2.7862
O3	1.7596	2.7054		3.0995	2.8187	4.1827	0.9614	0.9687
C4	1.8810	1.3301	3.0995		1.2150	1.0930	3.8781	2.7349
O5	2.3403	2.2671	2.8187	1.2150		2.0334	3.5247	2.1166
H6	2.8137	1.9977	4.1827	1.0930	2.0334		4.9564	3.8184
H7	2.5079	3.4621	0.9614	3.8781	3.5247	4.9564		1.5404
H8	2.0380	2.7862	0.9687	2.7349	2.1166	3.8184	1.5404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	C4	107.538	H1	O3	H7	132.116
H1	O3	H8	91.995	O2	H1	O3	158.957
O2	C4	O5	125.875	O2	C4	H6	110.683
O5	C4	H6	123.442	H7	O3	H8	105.887

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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