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	hartrees
Energy at 0K	-265.478317
Energy at 298.15K	-265.483305
HF Energy	-264.787297
Nuclear repulsion energy	123.775370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3888	3648	89.56
2	A	3741	3510	127.59
3	A	3477	3263	501.02
4	A	3165	2970	68.74
5	A	1887	1770	342.85
6	A	1761	1652	119.35
7	A	1519	1426	2.90
8	A	1454	1364	18.65
9	A	1275	1197	239.54
10	A	1107	1039	8.39
11	A	966	907	184.52
12	A	724	680	99.49
13	A	636	596	228.29
14	A	371	348	102.16
15	A	290	272	82.22
16	A	243	228	36.33
17	A	196	184	31.62
18	A	191	179	6.67

Atom	x (Å)	y (Å)	z (Å)
H1	0.397	0.968	-0.003
O2	-0.581	1.132	0.006
O3	1.890	0.006	-0.086
C4	-1.199	-0.040	0.009
O5	-0.667	-1.130	0.003
H6	-2.286	0.092	0.018
H7	2.582	-0.082	0.582
H8	1.358	-0.809	-0.036

	H1	O2	O3	C4	O5	H6	H7	H8
H1		0.9915	1.7779	1.8876	2.3525	2.8227	2.4937	2.0209
O2	0.9915		2.7166	1.3249	2.2636	1.9975	3.4364	2.7441
O3	1.7779	2.7166		3.0900	2.7986	4.1776	0.9661	0.9739
C4	1.8876	1.3249	3.0900		1.2128	1.0952	3.8241	2.6705
O5	2.3525	2.2636	2.7986	1.2128		2.0283	3.4622	2.0508
H6	2.8227	1.9975	4.1776	1.0952	2.0283		4.9036	3.7543
H7	2.4937	3.4364	0.9661	3.8241	3.4622	4.9036		1.5514
H8	2.0209	2.7441	0.9739	2.6705	2.0508	3.7543	1.5514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	C4	108.286	H1	O3	H7	128.196
H1	O3	H8	89.578	O2	H1	O3	156.600
O2	C4	O5	126.192	O2	C4	H6	110.898
O5	C4	H6	122.910	H7	O3	H8	106.198

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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