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	hartrees
Energy at 0K	-379.642765
Energy at 298.15K	-379.648650
HF Energy	-379.642765
Nuclear repulsion energy	234.077018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2973	2964	0.00
2	A_g	2839	2830	0.00
3	A_g	1617	1612	0.00
4	A_g	1444	1439	0.00
5	A_g	1360	1356	0.00
6	A_g	1199	1195	0.00
7	A_g	665	663	0.00
8	A_g	209	208	0.00
9	A_g	177	176	0.00
10	A_u	1068	1065	97.12
11	A_u	968	965	85.22
12	A_u	186	185	7.61
13	A_u	74	74	1.88
14	B_g	1034	1031	0.00
15	B_g	961	958	0.00
16	B_g	268	267	0.00
17	B_u	3000	2991	745.22
18	B_u	2938	2929	2085.72
19	B_u	1693	1688	676.67
20	B_u	1417	1413	0.25
21	B_u	1359	1355	35.69
22	B_u	1204	1200	292.86
23	B_u	704	701	29.56
24	B_u	284	283	74.65

Atom	x (Å)	y (Å)
C1	1.657	-0.943
C2	-1.657	0.943
O3	1.657	0.288
O4	-1.657	-0.288
O5	0.597	-1.737
O6	-0.597	1.737
H7	2.595	-1.522
H8	-2.595	1.522
H9	0.259	1.186
H10	-0.259	-1.186

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8137	1.2316	3.3785	1.3242	3.5021	1.1020	4.9152	2.5477	1.9316
C2	3.8137		3.3785	1.2316	3.5021	1.3242	4.9152	1.1020	1.9316	2.5477
O3	1.2316	3.3785		3.3642	2.2859	2.6795	2.0391	4.4274	1.6618	2.4181
O4	3.3785	1.2316	3.3642		2.6795	2.2859	4.4274	2.0391	2.4181	1.6618
O5	1.3242	3.5021	2.2859	2.6795		3.6732	2.0091	4.5619	2.9428	1.0178
O6	3.5021	1.3242	2.6795	2.2859	3.6732		4.5619	2.0091	1.0178	2.9428
H7	1.1020	4.9152	2.0391	4.4274	2.0091	4.5619		6.0169	3.5769	2.8735
H8	4.9152	1.1020	4.4274	2.0391	4.5619	2.0091	6.0169		2.8735	3.5769
H9	2.5477	1.9316	1.6618	2.4181	2.9428	1.0178	3.5769	2.8735		2.4288
H10	1.9316	2.5477	2.4181	1.6618	1.0178	2.9428	2.8735	3.5769	2.4288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	122.715	C1	O5	H10	110.448
C2	O4	H10	122.715	C2	O6	H9	110.448
O3	C1	O5	126.817	O3	C1	H7	121.706
O3	H9	O6	179.979	O4	C2	O6	126.817
O4	C2	H8	121.706	O4	H10	O5	179.979
O5	C1	H7	111.477	O6	C2	H8	111.477

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

using model chemistry: BLYP/cc-pVTZ

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	0.230
2	C	0.230
3	O	-0.326
4	O	-0.326
5	O	-0.238
6	O	-0.238
7	H	0.088
8	H	0.088
9	H	0.247
10	H	0.247

	x	y	z
x	7.507	-0.802	0.000
y	-0.802	7.475	0.000
z	0.000	0.000	3.647

<r²>	185.328
(<r²>)^1/2	13.614

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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