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	hartrees
Energy at 0K	-266.212302
Energy at 298.15K	-266.216580
HF Energy	-266.212302
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	117.917619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3874	3739	61.79
2	A	3732	3601	58.78
3	A	3727	3596	129.09
4	A	3092	2983	14.35
5	A	1812	1749	326.00
6	A	1687	1628	59.31
7	A	1399	1350	3.61
8	A	1333	1286	13.72
9	A	1152	1111	219.95
10	A	1092	1054	1.23
11	A	705	681	133.24
12	A	640	618	22.59
13	A	583	563	301.59
14	A	288	278	69.71
15	A	233	224	93.79
16	A	179	172	2.07
17	A	105	101	13.89
18	A	101	98	7.79

Atom	x (Å)	y (Å)	z (Å)
H1	-1.758	0.436	-0.122
O2	-2.394	-0.295	-0.092
O3	0.204	0.950	0.002
H4	-2.771	-0.235	0.790
C5	0.652	-0.169	-0.005
O6	1.956	-0.466	0.011
H7	0.041	-1.080	-0.026
H8	2.442	0.375	0.025

	H1	O2	O3	H4	C5	O6	H7	H8
H1		0.9685	2.0326	1.5193	2.4883	3.8245	2.3548	4.2036
O2	0.9685		2.8821	0.9618	3.0499	4.3542	2.5592	4.8833
O3	2.0326	2.8821		3.2981	1.2056	2.2524	2.0365	2.3109
H4	1.5193	0.9618	3.2981		3.5155	4.7966	3.0480	5.3044
C5	2.4883	3.0499	1.2056	3.5155		1.3370	1.0969	1.8707
O6	3.8245	4.3542	2.2524	4.7966	1.3370		2.0111	0.9710
H7	2.3548	2.5592	2.0365	3.0480	1.0969	2.0111		2.8075
H8	4.2036	4.8833	2.3109	5.3044	1.8707	0.9710	2.8075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.824	H1	O3	C5	97.110
O2	H1	O3	145.306	O3	C5	O6	124.639
O3	C5	H7	124.304	C5	O6	H8	107.238
O6	C5	H7	111.056

All results from a given calculation for H₂OHCOOH (Water formic acid dimer 2)

using model chemistry: B3LYP/6-31G(2df,p)

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 H2OHCOOH (Water formic acid dimer 2)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂OHCOOH (Water formic acid dimer 2)