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	hartrees
Energy at 0K	-379.236733
Energy at 298.15K	-379.242685
HF Energy	-379.236733
Nuclear repulsion energy	236.312957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3199	3066	0.00
2	A_g	3109	2980	0.00
3	A_g	1768	1694	0.00
4	A_g	1487	1426	0.00
5	A_g	1421	1362	0.00
6	A_g	1291	1237	0.00
7	A_g	696	667	0.00
8	A_g	218	209	0.00
9	A_g	175	167	0.00
10	A_u	1106	1060	75.22
11	A_u	997	956	217.37
12	A_u	184	176	6.44
13	A_u	76	73	2.18
14	B_g	1084	1039	0.00
15	B_g	972	931	0.00
16	B_g	275	263	0.00
17	B_u	3298	3161	1884.26
18	B_u	3102	2973	338.52
19	B_u	1837	1760	850.29
20	B_u	1457	1397	0.71
21	B_u	1419	1360	59.61
22	B_u	1289	1236	348.23
23	B_u	724	694	52.05
24	B_u	284	272	61.75

Atom	x (Å)	y (Å)
C1	1.575	-1.114
C2	-1.575	1.114
O3	1.575	0.094
O4	-1.575	-0.094
O5	0.520	-1.889
O6	-0.520	1.889
H7	2.501	-1.706
H8	-2.501	1.706
H9	0.298	1.346
H10	-0.298	-1.346

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8586	1.2079	3.3117	1.3096	3.6612	1.0991	4.9568	2.7721	1.8876
C2	3.8586		3.3117	1.2079	3.6612	1.3096	4.9568	1.0991	1.8876	2.7721
O3	1.2079	3.3117		3.1565	2.2464	2.7587	2.0242	4.3837	1.7890	2.3631
O4	3.3117	1.2079	3.1565		2.7587	2.2464	4.3837	2.0242	2.3631	1.7890
O5	1.3096	3.6612	2.2464	2.7587		3.9179	1.9899	4.6955	3.2427	0.9811
O6	3.6612	1.3096	2.7587	2.2464	3.9179		4.6955	1.9899	0.9811	3.2427
H7	1.0991	4.9568	2.0242	4.3837	1.9899	4.6955		6.0552	3.7646	2.8220
H8	4.9568	1.0991	4.3837	2.0242	4.6955	1.9899	6.0552		2.8220	3.7646
H9	2.7721	1.8876	1.7890	2.3631	3.2427	0.9811	3.7646	2.8220		2.7579
H10	1.8876	2.7721	2.3631	1.7890	0.9811	3.2427	2.8220	3.7646	2.7579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.422	C1	O5	H10	110.157
C2	O4	H10	134.422	C2	O6	H9	110.157
O3	C1	O5	126.287	O3	C1	H7	122.605
O3	H9	O6	169.134	O4	C2	O6	126.287
O4	C2	H8	122.605	O4	H10	O5	169.134
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	0.208
2	C	0.208
3	O	-0.401
4	O	-0.401
5	O	-0.453
6	O	-0.453
7	H	0.216
8	H	0.216
9	H	0.430
10	H	0.430

	x	y	z
x	6.140	-0.652	0.000
y	-0.652	6.507	0.000
z	0.000	0.000	2.760

<r²>	183.522
(<r²>)^1/2	13.547

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)