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	hartrees
Energy at 0K	-379.301285
Energy at 298.15K	-379.307220
HF Energy	-379.301285
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	235.653625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2994	2960	0.00
2	A_g	2722	2691	0.00
3	A_g	1628	1610	0.00
4	A_g	1444	1428	0.00
5	A_g	1358	1342	0.00
6	A_g	1231	1217	0.00
7	A_g	672	664	0.00
8	A_g	216	213	0.00
9	A_g	173	171	0.00
10	A_u	1091	1079	156.15
11	A_u	980	969	65.79
12	A_u	189	187	8.08
13	A_u	78	77	1.89
14	B_g	1044	1032	0.00
15	B_g	982	971	0.00
16	B_g	268	265	0.00
17	B_u	2998	2964	4.87
18	B_u	2863	2830	3182.38
19	B_u	1715	1695	743.81
20	B_u	1419	1403	1.60
21	B_u	1361	1346	43.50
22	B_u	1232	1218	287.31
23	B_u	711	703	28.97
24	B_u	299	296	86.71

Atom	x (Å)	y (Å)
C1	1.881	-0.095
C2	-1.881	0.095
O3	1.311	0.998
O4	-1.311	-0.998
O5	1.311	-1.280
O6	-1.311	1.280
H7	2.984	-0.167
H8	-2.984	0.167
H9	-0.290	1.182
H10	0.290	-1.182

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7673	1.2327	3.3178	1.3157	3.4758	1.1048	4.8720	2.5184	1.9275
C2	3.7673		3.3178	1.2327	3.4758	1.3157	4.8720	1.1048	1.9275	2.5184
O3	1.2327	3.3178		3.2957	2.2785	2.6372	2.0385	4.3744	1.6112	2.4075
O4	3.3178	1.2327	3.2957		2.6372	2.2785	4.3744	2.0385	2.4075	1.6112
O5	1.3157	3.4758	2.2785	2.6372		3.6650	2.0092	4.5321	2.9368	1.0261
O6	3.4758	1.3157	2.6372	2.2785	3.6650		4.5321	2.0092	1.0261	2.9368
H7	1.1048	4.8720	2.0385	4.3744	2.0092	4.5321		5.9767	3.5404	2.8788
H8	4.8720	1.1048	4.3744	2.0385	4.5321	2.0092	5.9767		2.8788	3.5404
H9	2.5184	1.9275	1.6112	2.4075	2.9368	1.0261	3.5404	2.8788		2.4337
H10	1.9275	2.5184	2.4075	1.6112	1.0261	2.9368	2.8788	3.5404	2.4337

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	124.097	C1	O5	H10	110.180
C2	O4	H10	124.097	C2	O6	H9	110.180
O3	C1	O5	126.762	O3	C1	H7	121.315
O3	H9	O6	178.961	O4	C2	O6	126.762
O4	C2	H8	121.315	O4	H10	O5	178.961
O5	C1	H7	111.923	O6	C2	H8	111.923

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

using model chemistry: PBEPBEultrafine/TZVP

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	0.183
2	C	0.183
3	O	-0.352
4	O	-0.352
5	O	-0.210
6	O	-0.210
7	H	0.111
8	H	0.111
9	H	0.267
10	H	0.267

	x	y	z
x	7.865	-0.499	0.000
y	-0.499	6.928	0.000
z	0.000	0.000	3.491

<r²>	182.234
(<r²>)^1/2	13.499

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

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

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