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	hartrees
Energy at 0K	-377.442944
Energy at 298.15K	-377.448922
HF Energy	-377.442944
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	234.321721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3619	3258	0.00
2	A_g	3401	3062	0.00
3	A_g	1800	1621	0.00
4	A_g	1550	1395	0.00
5	A_g	1504	1354	0.00
6	A_g	1295	1166	0.00
7	A_g	696	627	0.00
8	A_g	209	188	0.00
9	A_g	181	163	0.00
10	A_u	1190	1072	43.01
11	A_u	1076	969	565.96
12	A_u	188	169	24.50
13	A_u	101	91	2.93
14	B_g	1184	1066	0.00
15	B_g	1030	927	0.00
16	B_g	262	236	0.00
17	B_u	3685	3318	1554.52
18	B_u	3399	3060	130.72
19	B_u	1841	1657	1144.81
20	B_u	1536	1383	5.06
21	B_u	1495	1346	139.30
22	B_u	1289	1161	549.30
23	B_u	718	646	94.61
24	B_u	249	225	53.74

Atom	x (Å)	y (Å)
C1	1.590	-1.082
C2	-1.590	1.082
O3	1.590	0.144
O4	-1.590	-0.144
O5	0.510	-1.841
O6	-0.510	1.841
H7	2.497	-1.660
H8	-2.497	1.660
H9	0.348	1.377
H10	-0.348	-1.377

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8467	1.2254	3.3162	1.3205	3.5985	1.0753	4.9216	2.7551	1.9607
C2	3.8467		3.3162	1.2254	3.5985	1.3205	4.9216	1.0753	1.9607	2.7551
O3	1.2254	3.3162		3.1938	2.2595	2.6999	2.0188	4.3594	1.7509	2.4640
O4	3.3162	1.2254	3.1938		2.6999	2.2595	4.3594	2.0188	2.4640	1.7509
O5	1.3205	3.5985	2.2595	2.6999		3.8196	1.9952	4.6145	3.2220	0.9747
O6	3.5985	1.3205	2.6999	2.2595	3.8196		4.6145	1.9952	0.9747	3.2220
H7	1.0753	4.9216	2.0188	4.3594	1.9952	4.6145		5.9966	3.7208	2.8587
H8	4.9216	1.0753	4.3594	2.0188	4.6145	1.9952	5.9966		2.8587	3.7208
H9	2.7551	1.9607	1.7509	2.4640	3.2220	0.9747	3.7208	2.8587		2.8414
H10	1.9607	2.7551	2.4640	1.7509	0.9747	3.2220	2.8587	3.7208	2.8414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.792	C1	O5	H10	116.553
C2	O4	H10	134.792	C2	O6	H9	116.553
O3	C1	O5	125.082	O3	C1	H7	122.542
O3	H9	O6	163.572	O4	C2	O6	125.082
O4	C2	H8	122.542	O4	H10	O5	163.572
O5	C1	H7	112.376	O6	C2	H8	112.376

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

using model chemistry: HF/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	0.343
2	C	0.343
3	O	-0.500
4	O	-0.500
5	O	-0.586
6	O	-0.586
7	H	0.222
8	H	0.222
9	H	0.520
10	H	0.520

	x	y	z
x	4.739	-0.216	0.000
y	-0.216	5.867	0.000
z	0.000	0.000	2.190

<r²>	187.166
(<r²>)^1/2	13.681

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

using model chemistry: HF/SDD

States and conformations

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