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	hartrees
Energy at 0K	-379.499206
Energy at 298.15K	-379.505334
HF Energy	-379.499206
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	234.797363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3176	3053	0.00
2	A_g	2713	2608	0.00
3	A_g	1625	1562	0.00
4	A_g	1460	1403	0.00
5	A_g	1388	1334	0.00
6	A_g	1227	1180	0.00
7	A_g	654	628	0.00
8	A_g	245	236	0.00
9	A_g	181	174	0.00
10	A_u	1202	1155	401.01
11	A_u	1024	984	27.26
12	A_u	207	199	16.44
13	A_u	106	102	1.32
14	B_g	1155	1110	0.00
15	B_g	1025	985	0.00
16	B_g	290	279	0.00
17	B_u	3175	3052	21.94
18	B_u	2885	2774	2857.07
19	B_u	1659	1595	793.80
20	B_u	1472	1415	66.56
21	B_u	1397	1343	101.54
22	B_u	1220	1173	316.56
23	B_u	692	665	30.97
24	B_u	330	317	92.44

Atom	x (Å)	y (Å)
C1	1.933	-0.212
C2	-1.933	0.212
O3	1.346	0.880
O4	-1.346	-0.880
O5	1.346	-1.419
O6	-1.346	1.419
H7	3.027	-0.297
H8	-3.027	0.297
H9	-0.349	1.409
H10	0.349	-1.409

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8892	1.2392	3.3466	1.3424	3.6625	1.0973	4.9861	2.7993	1.9855
C2	3.8892		3.3466	1.2392	3.6625	1.3424	4.9861	1.0973	1.9855	2.7993
O3	1.2392	3.3466		3.2163	2.2988	2.7460	2.0517	4.4119	1.7761	2.4965
O4	3.3466	1.2392	3.2163		2.7460	2.2988	4.4119	2.0517	2.4965	1.7761
O5	1.3424	3.6625	2.2988	2.7460		3.9123	2.0210	4.6980	3.2975	0.9971
O6	3.6625	1.3424	2.7460	2.2988	3.9123		4.6980	2.0210	0.9971	3.2975
H7	1.0973	4.9861	2.0517	4.4119	2.0210	4.6980		6.0832	3.7828	2.8996
H8	4.9861	1.0973	4.4119	2.0517	4.6980	2.0210	6.0832		2.8996	3.7828
H9	2.7993	1.9855	1.7761	2.4965	3.2975	0.9971	3.7828	2.8996		2.9034
H10	1.9855	2.7993	2.4965	1.7761	0.9971	3.2975	2.8996	3.7828	2.9034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	135.608	C1	O5	H10	115.341
C2	O4	H10	135.608	C2	O6	H9	115.341
O3	C1	O5	125.814	O3	C1	H7	122.714
O3	H9	O6	163.237	O4	C2	O6	125.814
O4	C2	H8	122.714	O4	H10	O5	163.237
O5	C1	H7	111.471	O6	C2	H8	111.471

All results from a given calculation for C₂H₄O₄ (Formic acid dimer)

using model chemistry: B3LYP/SDD

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	C	0.089
2	C	0.089
3	O	-0.348
4	O	-0.348
5	O	-0.391
6	O	-0.391
7	H	0.232
8	H	0.232
9	H	0.417
10	H	0.417

	x	y	z
x	6.346	-0.449	0.000
y	-0.449	6.110	0.000
z	0.000	0.000	2.391

<r²>	180.854
(<r²>)^1/2	13.448

All results from a given calculation for C2H4O4 (Formic acid dimer)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for C₂H₄O₄ (Formic acid dimer)