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	hartrees
Energy at 0K	-374.071607
Energy at 298.15K	-374.078241
HF Energy	-374.071607
Nuclear repulsion energy	239.157756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3313	2926	0.00
2	A_g	2250	1987	0.00
3	A_g	1852	1636	0.00
4	A_g	1466	1295	0.00
5	A_g	1391	1229	0.00
6	A_g	1099	971	0.00
7	A_g	730	644	0.00
8	A_g	549	485	0.00
9	A_g	251	222	0.00
10	A_u	1478	1305	190.56
11	A_u	975	861	8.34
12	A_u	247	218	5.09
13	A_u	96	85	0.00
14	B_g	1475	1303	0.00
15	B_g	999	882	0.00
16	B_g	334	295	0.00
17	B_u	3311	2924	0.46
18	B_u	2844	2511	6318.57
19	B_u	1844	1628	202.39
20	B_u	1786	1577	91.48
21	B_u	1456	1286	51.29
22	B_u	1362	1203	78.54
23	B_u	782	690	4.96
24	B_u	662	585	0.95

Atom	x (Å)	y (Å)
C1	1.903	-0.274
C2	-1.903	0.274
O3	1.330	0.828
O4	-1.330	-0.828
O5	1.330	-1.499
O6	-1.330	1.499
H7	3.014	-0.384
H8	-3.014	0.384
H9	-0.325	1.382
H10	0.325	-1.382

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8459	1.2422	3.2803	1.3522	3.6877	1.1161	4.9612	2.7765	1.9276
C2	3.8459		3.2803	1.2422	3.6877	1.3522	4.9612	1.1161	1.9276	2.7765
O3	1.2422	3.2803		3.1329	2.3267	2.7434	2.0745	4.3666	1.7456	2.4269
O4	3.2803	1.2422	3.1329		2.7434	2.3267	4.3666	2.0745	2.4269	1.7456
O5	1.3522	3.6877	2.3267	2.7434		4.0079	2.0199	4.7345	3.3224	1.0114
O6	3.6877	1.3522	2.7434	2.3267	4.0079		4.7345	2.0199	1.0114	3.3224
H7	1.1161	4.9612	2.0745	4.3666	2.0199	4.7345		6.0767	3.7773	2.8678
H8	4.9612	1.1161	4.3666	2.0745	4.7345	2.0199	6.0767		2.8678	3.7773
H9	2.7765	1.9276	1.7456	2.4269	3.3224	1.0114	3.7773	2.8678		2.8387
H10	1.9276	2.7765	2.4269	1.7456	1.0114	3.3224	2.8678	3.7773	2.8387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	135.987	C1	O5	H10	108.417
C2	O4	H10	135.987	C2	O6	H9	108.417
O3	C1	O5	127.428	O3	C1	H7	123.111
O3	H9	O6	168.168	O4	C2	O6	127.428
O4	C2	H8	123.111	O4	H10	O5	168.168
O5	C1	H7	109.461	O6	C2	H8	109.461

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

using model chemistry: HSEh1PBE/STO-3G

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	0.154
2	C	0.154
3	O	-0.240
4	O	-0.240
5	O	-0.240
6	O	-0.240
7	H	0.091
8	H	0.091
9	H	0.235
10	H	0.235

	x	y	z
x	5.180	-0.000	0.000
y	-0.000	3.891	0.000
z	0.000	0.000	0.780

<r²>	166.436
(<r²>)^1/2	12.901

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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