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	hartrees
Energy at 0K	-379.497652
Energy at 298.15K	-379.503779
HF Energy	-379.497652
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	234.840260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3175	3052	0.00
2	A_g	2710	2605	0.00
3	A_g	1624	1561	0.00
4	A_g	1460	1403	0.00
5	A_g	1388	1334	0.00
6	A_g	1227	1179	0.00
7	A_g	654	628	0.00
8	A_g	246	236	0.00
9	A_g	181	174	0.00
10	A_u	1203	1156	402.27
11	A_u	1024	984	26.10
12	A_u	207	199	16.61
13	A_u	106	102	1.34
14	B_g	1156	1111	0.00
15	B_g	1025	985	0.00
16	B_g	290	278	0.00
17	B_u	3175	3051	21.69
18	B_u	2883	2771	2866.86
19	B_u	1657	1593	789.49
20	B_u	1472	1415	66.48
21	B_u	1397	1343	101.87
22	B_u	1220	1172	315.51
23	B_u	692	666	30.82
24	B_u	331	318	92.78

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		3.8888	1.2392	3.3463	1.3424	3.6621	1.0972	4.9856	2.7991	1.9855
C2	3.8888		3.3463	1.2392	3.6621	1.3424	4.9856	1.0972	1.9855	2.7991
O3	1.2392	3.3463		3.2161	2.2988	2.7456	2.0517	4.4114	1.7759	2.4967
O4	3.3463	1.2392	3.2161		2.7456	2.2988	4.4114	2.0517	2.4967	1.7759
O5	1.3424	3.6621	2.2988	2.7456		3.9119	2.0208	4.6975	3.2974	0.9971
O6	3.6621	1.3424	2.7456	2.2988	3.9119		4.6975	2.0208	0.9971	3.2974
H7	1.0972	4.9856	2.0517	4.4114	2.0208	4.6975		6.0825	3.7825	2.8995
H8	4.9856	1.0972	4.4114	2.0517	4.6975	2.0208	6.0825		2.8995	3.7825
H9	2.7991	1.9855	1.7759	2.4967	3.2974	0.9971	3.7825	2.8995		2.9037
H10	1.9855	2.7991	2.4967	1.7759	0.9971	3.2974	2.8995	3.7825	2.9037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	135.608	C1	O5	H10	115.354
C2	O4	H10	135.608	C2	O6	H9	115.354
O3	C1	O5	125.820	O3	C1	H7	122.717
O3	H9	O6	163.218	O4	C2	O6	125.820
O4	C2	H8	122.717	O4	H10	O5	163.218
O5	C1	H7	111.463	O6	C2	H8	111.463

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

using model chemistry: B3LYP/LANL2DZ

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	0.088
2	C	0.088
3	O	-0.351
4	O	-0.351
5	O	-0.392
6	O	-0.392
7	H	0.236
8	H	0.236
9	H	0.418
10	H	0.418

	x	y	z
x	6.334	-0.449	0.000
y	-0.449	6.106	0.000
z	0.000	0.000	2.369

<r²>	180.757
(<r²>)^1/2	13.445

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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