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	hartrees
Energy at 0K	-379.548418
Energy at 298.15K	-379.554373
HF Energy	-379.548418
Nuclear repulsion energy	236.770983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3082	2972	0.00
2	A_g	3023	2915	0.00
3	A_g	1717	1656	0.00
4	A_g	1478	1426	0.00
5	A_g	1411	1360	0.00
6	A_g	1274	1228	0.00
7	A_g	694	669	0.00
8	A_g	210	203	0.00
9	A_g	173	167	0.00
10	A_u	1109	1069	98.39
11	A_u	1010	974	153.35
12	A_u	188	181	9.73
13	A_u	79	76	2.45
14	B_g	1081	1042	0.00
15	B_g	991	955	0.00
16	B_g	266	256	0.00
17	B_u	3151	3038	1980.01
18	B_u	3068	2959	800.05
19	B_u	1794	1730	844.26
20	B_u	1452	1400	1.10
21	B_u	1409	1358	56.34
22	B_u	1275	1229	340.34
23	B_u	727	701	41.49
24	B_u	283	273	78.09

Atom	x (Å)	y (Å)
C1	1.613	-0.982
C2	-1.613	0.982
O3	1.613	0.236
O4	-1.613	-0.236
O5	0.562	-1.756
O6	-0.562	1.756
H7	2.546	-1.558
H8	-2.546	1.558
H9	0.280	1.207
H10	-0.280	-1.207

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7769	1.2180	3.3110	1.3056	3.4970	1.0966	4.8735	2.5632	1.9058
C2	3.7769		3.3110	1.2180	3.4970	1.3056	4.8735	1.0966	1.9058	2.5632
O3	1.2180	3.3110		3.2600	2.2526	2.6535	2.0219	4.3643	1.6495	2.3797
O4	3.3110	1.2180	3.2600		2.6535	2.2526	4.3643	2.0219	2.3797	1.6495
O5	1.3056	3.4970	2.2526	2.6535		3.6881	1.9947	4.5435	2.9768	1.0048
O6	3.4970	1.3056	2.6535	2.2526	3.6881		4.5435	1.9947	1.0048	2.9768
H7	1.0966	4.8735	2.0219	4.3643	1.9947	4.5435		5.9701	3.5751	2.8477
H8	4.8735	1.0966	4.3643	2.0219	4.5435	1.9947	5.9701		2.8477	3.5751
H9	2.5632	1.9058	1.6495	2.3797	2.9768	1.0048	3.5751	2.8477		2.4778
H10	1.9058	2.5632	2.3797	1.6495	1.0048	2.9768	2.8477	3.5751	2.4778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	126.072	C1	O5	H10	110.475
C2	O4	H10	126.072	C2	O6	H9	110.475
O3	C1	O5	126.370	O3	C1	H7	121.651
O3	H9	O6	177.083	O4	C2	O6	126.370
O4	C2	H8	121.651	O4	H10	O5	177.083
O5	C1	H7	111.979	O6	C2	H8	111.979

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

using model chemistry: B3PW91/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	0.256
2	C	0.256
3	O	-0.409
4	O	-0.409
5	O	-0.256
6	O	-0.256
7	H	0.110
8	H	0.110
9	H	0.300
10	H	0.300

	x	y	z
x	6.626	-0.531	0.000
y	-0.531	7.153	0.000
z	0.000	0.000	3.352

<r²>	181.938
(<r²>)^1/2	13.488

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

using model chemistry: B3PW91/TZVP

States and conformations

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