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	hartrees
Energy at 0K	-377.838588
Energy at 298.15K	-377.844959
HF Energy	-377.838588
Nuclear repulsion energy	242.729739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2979	2955	0.00
2	A_g	1984	1968	0.00
3	A_g	1569	1557	0.00
4	A_g	1399	1388	0.00
5	A_g	1358	1347	0.00
6	A_g	1248	1238	0.00
7	A_g	701	696	0.00
8	A_g	303	301	0.00
9	A_g	182	180	0.00
10	A_u	1240	1230	148.60
11	A_u	1017	1009	3.22
12	A_u	209	207	12.30
13	A_u	78	77	0.63
14	B_g	1195	1185	0.00
15	B_g	1023	1015	0.00
16	B_g	280	278	0.00
17	B_u	2978	2954	39.77
18	B_u	2185	2168	5329.16
19	B_u	1738	1724	845.88
20	B_u	1471	1459	25.01
21	B_u	1372	1361	101.29
22	B_u	1318	1307	118.39
23	B_u	771	764	17.29
24	B_u	458	455	125.46

Atom	x (Å)	y (Å)
C1	1.568	-1.112
C2	-1.568	1.112
O3	1.568	0.097
O4	-1.568	-0.097
O5	0.509	-1.879
O6	-0.509	1.879
H7	2.500	-1.711
H8	-2.500	1.711
H9	0.316	1.321
H10	-0.316	-1.321

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8449	1.2092	3.2963	1.3078	3.6417	1.1075	4.9515	2.7364	1.8951
C2	3.8449		3.2963	1.2092	3.6417	1.3078	4.9515	1.1075	1.8951	2.7364
O3	1.2092	3.2963		3.1419	2.2421	2.7366	2.0339	4.3763	1.7511	2.3575
O4	3.2963	1.2092	3.1419		2.7366	2.2421	4.3763	2.0339	2.3575	1.7511
O5	1.3078	3.6417	2.2421	2.7366		3.8937	1.9982	4.6840	3.2058	0.9957
O6	3.6417	1.3078	2.7366	2.2421	3.8937		4.6840	1.9982	0.9957	3.2058
H7	1.1075	4.9515	2.0339	4.3763	1.9982	4.6840		6.0584	3.7365	2.8423
H8	4.9515	1.1075	4.3763	2.0339	4.6840	1.9982	6.0584		2.8423	3.7365
H9	2.7364	1.8951	1.7511	2.3575	3.2058	0.9957	3.7365	2.8423		2.7159
H10	1.8951	2.7364	2.3575	1.7511	0.9957	3.2058	2.8423	3.7365	2.7159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.343	C1	O5	H10	109.979
C2	O4	H10	134.343	C2	O6	H9	109.979
O3	C1	O5	125.903	O3	C1	H7	122.723
O3	H9	O6	169.775	O4	C2	O6	125.903
O4	C2	H8	122.723	O4	H10	O5	169.775
O5	C1	H7	111.374	O6	C2	H8	111.374

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

using model chemistry: SVWN/aug-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	-0.056
2	C	-0.056
3	O	-0.380
4	O	-0.380
5	O	-0.260
6	O	-0.260
7	H	0.454
8	H	0.454
9	H	0.242
10	H	0.242

	x	y	z
x	8.850	-0.233	0.000
y	-0.233	7.521	0.000
z	0.000	0.000	4.506

<r²>	168.549
(<r²>)^1/2	12.983

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

using model chemistry: SVWN/aug-cc-pVTZ

States and conformations

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