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	hartrees
Energy at 0K	-379.182057
Energy at 298.15K	-379.188197
HF Energy	-379.182057
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	236.789721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2983	2965	0.00
2	A_g	2493	2478	0.00
3	A_g	1612	1603	0.00
4	A_g	1479	1470	0.00
5	A_g	1344	1336	0.00
6	A_g	1261	1254	0.00
7	A_g	674	670	0.00
8	A_g	240	238	0.00
9	A_g	184	183	0.00
10	A_u	1133	1127	158.15
11	A_u	988	982	26.10
12	A_u	204	203	7.31
13	A_u	82	82	1.25
14	B_g	1086	1080	0.00
15	B_g	1001	995	0.00
16	B_g	299	298	0.00
17	B_u	2984	2967	15.71
18	B_u	2696	2681	3958.72
19	B_u	1740	1729	685.56
20	B_u	1446	1438	6.84
21	B_u	1353	1345	42.55
22	B_u	1261	1253	213.90
23	B_u	727	723	24.59
24	B_u	347	345	97.29

Atom	x (Å)	y (Å)
C1	-1.819	0.006
C2	1.819	-0.006
O3	-1.251	1.124
O4	1.251	-1.124
O5	-1.251	-1.159
O6	1.251	1.159
H7	-2.932	-0.039
H8	2.932	0.039
H9	0.179	1.109
H10	-0.179	-1.109

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.6371	1.2535	3.2711	1.2962	3.2794	1.1140	4.7503	2.2819	1.9825
C2	3.6371		3.2711	1.2535	3.2794	1.2962	4.7503	1.1140	1.9825	2.2819
O3	1.2535	3.2711		3.3636	2.2832	2.5028	2.0435	4.3213	1.4305	2.4766
O4	3.2711	1.2535	3.3636		2.5028	2.2832	4.3213	2.0435	2.4766	1.4305
O5	1.2962	3.2794	2.2832	2.5028		3.4117	2.0196	4.3512	2.6816	1.0733
O6	3.2794	1.2962	2.5028	2.2832	3.4117		4.3512	2.0196	1.0733	2.6816
H7	1.1140	4.7503	2.0435	4.3213	2.0196	4.3512		5.8638	3.3158	2.9531
H8	4.7503	1.1140	4.3213	2.0435	4.3512	2.0196	5.8638		2.9531	3.3158
H9	2.2819	1.9825	1.4305	2.4766	2.6816	1.0733	3.3158	2.9531		2.2464
H10	1.9825	2.2819	2.4766	1.4305	1.0733	2.6816	2.9531	3.3158	2.2464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	116.310	C1	O5	H10	113.252
C2	O4	H10	116.310	C2	O6	H9	113.252
O3	C1	O5	127.136	O3	C1	H7	119.229
O3	H9	O6	176.698	O4	C2	O6	127.136
O4	C2	H8	119.229	O4	H10	O5	176.698
O5	C1	H7	113.636	O6	C2	H8	113.636

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

using model chemistry: PBEPBE/cc-pVDZ

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	0.192
2	C	0.192
3	O	-0.270
4	O	-0.270
5	O	-0.146
6	O	-0.146
7	H	0.042
8	H	0.042
9	H	0.182
10	H	0.182

	x	y	z
x	7.639	0.451	0.000
y	0.451	5.947	0.000
z	0.000	0.000	2.704

<r²>	178.090
(<r²>)^1/2	13.345

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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