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	hartrees
Energy at 0K	-75.947364
Energy at 298.15K	-75.953274
HF Energy	-75.947364
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	131.205488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3628	3311	0.00
2	A_g	3338	3045	0.00
3	A_g	1777	1622	0.00
4	A_g	1525	1392	0.00
5	A_g	1483	1353	0.00
6	A_g	1273	1161	0.00
7	A_g	685	625	0.00
8	A_g	200	182	0.00
9	A_g	175	160	0.00
10	A_u	1176	1074	27.38
11	A_u	1027	937	512.66
12	A_u	178	163	22.88
13	A_u	97	88	3.04
14	B_g	1170	1068	0.00
15	B_g	987	900	0.00
16	B_g	249	227	0.00
17	B_u	3683	3360	1326.95
18	B_u	3335	3043	102.73
19	B_u	1815	1656	1073.90
20	B_u	1518	1385	9.24
21	B_u	1470	1341	121.26
22	B_u	1268	1157	539.92
23	B_u	699	638	97.50
24	B_u	239	218	49.57

Atom	x (Å)	y (Å)
C1	1.600	-1.107
C2	-1.600	1.107
O3	1.600	0.124
O4	-1.600	-0.124
O5	0.507	-1.864
O6	-0.507	1.864
H7	2.506	-1.692
H8	-2.506	1.692
H9	0.339	1.385
H10	-0.339	-1.385

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8907	1.2303	3.3474	1.3294	3.6419	1.0789	4.9692	2.7926	1.9590
C2	3.8907		3.3474	1.2303	3.6419	1.3294	4.9692	1.0789	1.9590	2.7926
O3	1.2303	3.3474		3.2094	2.2680	2.7328	2.0292	4.3955	1.7835	2.4570
O4	3.3474	1.2303	3.2094		2.7328	2.2680	4.3955	2.0292	2.4570	1.7835
O5	1.3294	3.6419	2.2680	2.7328		3.8631	2.0065	4.6609	3.2533	0.9723
O6	3.6419	1.3294	2.7328	2.2680	3.8631		4.6609	2.0065	0.9723	3.2533
H7	1.0789	4.9692	2.0292	4.3955	2.0065	4.6609		6.0478	3.7636	2.8620
H8	4.9692	1.0789	4.3955	2.0292	4.6609	2.0065	6.0478		2.8620	3.7636
H9	2.7926	1.9590	1.7835	2.4570	3.2533	0.9723	3.7636	2.8620		2.8521
H10	1.9590	2.7926	2.4570	1.7835	0.9723	3.2533	2.8620	3.7636	2.8521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	135.014	C1	O5	H10	115.793
C2	O4	H10	135.014	C2	O6	H9	115.793
O3	C1	O5	124.720	O3	C1	H7	122.847
O3	H9	O6	164.472	O4	C2	O6	124.720
O4	C2	H8	122.847	O4	H10	O5	164.472
O5	C1	H7	112.433	O6	C2	H8	112.433

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

using model chemistry: HF/CEP-121G

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	0.238
2	C	0.238
3	O	-0.394
4	O	-0.394
5	O	-0.468
6	O	-0.468
7	H	0.169
8	H	0.169
9	H	0.456
10	H	0.456

	x	y	z
x	5.022	-0.255	0.000
y	-0.255	6.218	0.000
z	0.000	0.000	2.581

<r²>	149.889
(<r²>)^1/2	12.243

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

using model chemistry: HF/CEP-121G

States and conformations

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