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	hartrees
Energy at 0K	-379.465579
Energy at 298.15K	-379.471604
HF Energy	-379.465579
Nuclear repulsion energy	236.799117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3093	2984	0.00
2	A_g	2942	2838	0.00
3	A_g	1695	1635	0.00
4	A_g	1492	1439	0.00
5	A_g	1390	1341	0.00
6	A_g	1276	1231	0.00
7	A_g	686	662	0.00
8	A_g	220	212	0.00
9	A_g	181	174	0.00
10	A_u	1120	1081	93.76
11	A_u	1020	984	86.78
12	A_u	192	186	10.91
13	A_u	77	75	2.12
14	B_g	1084	1046	0.00
15	B_g	1014	978	0.00
16	B_g	272	262	0.00
17	B_u	3113	3003	600.94
18	B_u	3052	2944	2445.68
19	B_u	1780	1717	809.49
20	B_u	1459	1407	0.48
21	B_u	1392	1342	48.12
22	B_u	1278	1233	296.47
23	B_u	728	702	37.14
24	B_u	301	290	83.04

Atom	x (Å)	y (Å)
C1	1.626	-0.948
C2	-1.626	0.948
O3	1.626	0.278
O4	-1.626	-0.278
O5	0.573	-1.723
O6	-0.573	1.723
H7	2.566	-1.523
H8	-2.566	1.523
H9	0.271	1.169
H10	-0.271	-1.169

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7644	1.2251	3.3209	1.3081	3.4595	1.1021	4.8663	2.5134	1.9102
C2	3.7644		3.3209	1.2251	3.4595	1.3081	4.8663	1.1021	1.9102	2.5134
O3	1.2251	3.3209		3.2997	2.2610	2.6316	2.0312	4.3736	1.6222	2.3860
O4	3.3209	1.2251	3.2997		2.6316	2.2610	4.3736	2.0312	2.3860	1.6222
O5	1.3081	3.4595	2.2610	2.6316		3.6315	2.0034	4.5156	2.9078	1.0094
O6	3.4595	1.3081	2.6316	2.2610	3.6315		4.5156	2.0034	1.0094	2.9078
H7	1.1021	4.8663	2.0312	4.3736	2.0034	4.5156		5.9683	3.5378	2.8592
H8	4.8663	1.1021	4.3736	2.0312	4.5156	2.0034	5.9683		2.8592	3.5378
H9	2.5134	1.9102	1.6222	2.3860	2.9078	1.0094	3.5378	2.8592		2.4003
H10	1.9102	2.5134	2.3860	1.6222	1.0094	2.9078	2.8592	3.5378	2.4003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	123.337	C1	O5	H10	110.363
C2	O4	H10	123.337	C2	O6	H9	110.363
O3	C1	O5	126.358	O3	C1	H7	121.481
O3	H9	O6	179.942	O4	C2	O6	126.358
O4	C2	H8	121.481	O4	H10	O5	179.942
O5	C1	H7	112.161	O6	C2	H8	112.161

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

using model chemistry: B3PW91/aug-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	0.781
2	C	0.781
3	O	-0.458
4	O	-0.458
5	O	-0.280
6	O	-0.280
7	H	-0.288
8	H	-0.288
9	H	0.244
10	H	0.244

	x	y	z
x	7.653	-0.560	0.000
y	-0.560	7.827	0.000
z	0.000	0.000	4.345

<r²>	180.765
(<r²>)^1/2	13.445

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

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

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