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	hartrees
Energy at 0K	-379.253583
Energy at 298.15K	-379.259604
HF Energy	-379.253583
Nuclear repulsion energy	237.591522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3093	2967	0.00
2	A_g	3074	2949	0.00
3	A_g	1746	1675	0.00
4	A_g	1501	1440	0.00
5	A_g	1414	1356	0.00
6	A_g	1297	1245	0.00
7	A_g	700	672	0.00
8	A_g	215	206	0.00
9	A_g	176	169	0.00
10	A_u	1121	1075	91.13
11	A_u	1022	980	155.00
12	A_u	192	184	8.99
13	A_u	78	75	2.17
14	B_g	1092	1048	0.00
15	B_g	1005	964	0.00
16	B_g	281	270	0.00
17	B_u	3207	3077	2269.91
18	B_u	3080	2955	562.62
19	B_u	1828	1754	832.81
20	B_u	1465	1406	2.97
21	B_u	1415	1358	56.91
22	B_u	1297	1244	320.22
23	B_u	735	705	45.82
24	B_u	291	280	76.20

Atom	x (Å)	y (Å)
C1	1.573	-1.117
C2	-1.573	1.117
O3	1.573	0.091
O4	-1.573	-0.091
O5	0.516	-1.891
O6	-0.516	1.891
H7	2.499	-1.711
H8	-2.499	1.711
H9	0.296	1.338
H10	-0.296	-1.338

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8586	1.2077	3.3093	1.3097	3.6624	1.0996	4.9573	2.7675	1.8817
C2	3.8586		3.3093	1.2077	3.6624	1.3097	4.9573	1.0996	1.8817	2.7675
O3	1.2077	3.3093		3.1513	2.2458	2.7580	2.0253	4.3821	1.7854	2.3523
O4	3.3093	1.2077	3.1513		2.7580	2.2458	4.3821	2.0253	2.3523	1.7854
O5	1.3097	3.6624	2.2458	2.7580		3.9203	1.9904	4.6970	3.2364	0.9824
O6	3.6624	1.3097	2.7580	2.2458	3.9203		4.6970	1.9904	0.9824	3.2364
H7	1.0996	4.9573	2.0253	4.3821	1.9904	4.6970		6.0562	3.7613	2.8190
H8	4.9573	1.0996	4.3821	2.0253	4.6970	1.9904	6.0562		2.8190	3.7613
H9	2.7675	1.8817	1.7854	2.3523	3.2364	0.9824	3.7613	2.8190		2.7405
H10	1.8817	2.7675	2.3523	1.7854	0.9824	3.2364	2.8190	3.7613	2.7405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.316	C1	O5	H10	109.530
C2	O4	H10	134.316	C2	O6	H9	109.530
O3	C1	O5	126.219	O3	C1	H7	122.673
O3	H9	O6	169.935	O4	C2	O6	126.219
O4	C2	H8	122.673	O4	H10	O5	169.935
O5	C1	H7	111.108	O6	C2	H8	111.108

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

using model chemistry: PBE1PBE/6-311G**

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	0.279
2	C	0.279
3	O	-0.406
4	O	-0.406
5	O	-0.288
6	O	-0.288
7	H	0.121
8	H	0.121
9	H	0.294
10	H	0.294

	x	y	z
x	6.240	-0.682	0.000
y	-0.682	6.563	0.000
z	0.000	0.000	2.866

<r²>	180.158
(<r²>)^1/2	13.422

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

using model chemistry: PBE1PBE/6-311G**

States and conformations

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