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	hartrees
Energy at 0K	-377.713369
Energy at 298.15K	-377.719157
HF Energy	-377.713369
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	235.579772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3754	3417	0.00
2	A_g	3252	2961	0.00
3	A_g	1900	1730	0.00
4	A_g	1556	1416	0.00
5	A_g	1522	1385	0.00
6	A_g	1342	1222	0.00
7	A_g	737	671	0.00
8	A_g	179	163	0.00
9	A_g	160	145	0.00
10	A_u	1212	1103	0.27
11	A_u	959	873	264.66
12	A_u	169	153	12.57
13	A_u	75	68	4.06
14	B_g	1209	1100	0.00
15	B_g	914	832	0.00
16	B_g	239	218	0.00
17	B_u	3804	3463	1521.37
18	B_u	3250	2959	136.01
19	B_u	1954	1779	1066.53
20	B_u	1549	1410	24.45
21	B_u	1499	1365	64.34
22	B_u	1346	1225	456.83
23	B_u	753	685	75.12
24	B_u	219	199	48.04

Atom	x (Å)	y (Å)
C1	1.641	-1.050
C2	-1.641	1.050
O3	1.641	0.140
O4	-1.641	-0.140
O5	0.590	-1.809
O6	-0.590	1.809
H7	2.556	-1.631
H8	-2.556	1.631
H9	0.217	1.288
H10	-0.217	-1.288

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8966	1.1904	3.4057	1.2962	3.6268	1.0836	4.9803	2.7376	1.8733
C2	3.8966		3.4057	1.1904	3.6268	1.2962	4.9803	1.0836	1.8733	2.7376
O3	1.1904	3.4057		3.2937	2.2144	2.7862	1.9932	4.4539	1.8288	2.3434
O4	3.4057	1.1904	3.2937		2.7862	2.2144	4.4539	1.9932	2.3434	1.8288
O5	1.2962	3.6268	2.2144	2.7862		3.8058	1.9742	4.6615	3.1194	0.9609
O6	3.6268	1.2962	2.7862	2.2144	3.8058		4.6615	1.9742	0.9609	3.1194
H7	1.0836	4.9803	1.9932	4.4539	1.9742	4.6615		6.0639	3.7401	2.7945
H8	4.9803	1.0836	4.4539	1.9932	4.6615	1.9742	6.0639		2.7945	3.7401
H9	2.7376	1.8733	1.8288	2.3434	3.1194	0.9609	3.7401	2.7945		2.6122
H10	1.8733	2.7376	2.3434	1.8288	0.9609	3.1194	2.7945	3.7401	2.6122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	128.881	C1	O5	H10	111.322
C2	O4	H10	128.881	C2	O6	H9	111.322
O3	C1	O5	125.826	O3	C1	H7	122.377
O3	H9	O6	173.972	O4	C2	O6	125.826
O4	C2	H8	122.377	O4	H10	O5	173.972
O5	C1	H7	111.797	O6	C2	H8	111.797

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

using model chemistry: HF/aug-cc-pVTZ

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	-0.113
2	C	-0.113
3	O	-0.606
4	O	-0.606
5	O	-0.378
6	O	-0.378
7	H	0.687
8	H	0.687
9	H	0.410
10	H	0.410

	x	y	z
x	6.330	-0.340	0.000
y	-0.340	6.848	0.000
z	0.000	0.000	4.062

<r²>	189.514
(<r²>)^1/2	13.766

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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