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	hartrees
Energy at 0K	-379.725957
Energy at 298.15K	-379.731878
HF Energy	-379.725957
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	236.052546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3076	2961	0.00
2	A_g	3061	2947	0.00
3	A_g	1700	1636	0.00
4	A_g	1479	1424	0.00
5	A_g	1408	1355	0.00
6	A_g	1257	1210	0.00
7	A_g	690	664	0.00
8	A_g	209	201	0.00
9	A_g	176	169	0.00
10	A_u	1102	1060	62.05
11	A_u	1001	964	143.48
12	A_u	185	179	9.50
13	A_u	76	74	2.31
14	B_g	1080	1040	0.00
15	B_g	979	943	0.00
16	B_g	264	254	0.00
17	B_u	3186	3067	2199.89
18	B_u	3059	2944	469.35
19	B_u	1773	1707	799.31
20	B_u	1450	1396	0.49
21	B_u	1405	1353	47.90
22	B_u	1261	1213	337.31
23	B_u	724	697	38.99
24	B_u	278	268	73.73

Atom	x (Å)	y (Å)
C1	1.588	-1.113
C2	-1.588	1.113
O3	1.588	0.096
O4	-1.588	-0.096
O5	0.524	-1.885
O6	-0.524	1.885
H7	2.512	-1.705
H8	-2.512	1.705
H9	0.297	1.341
H10	-0.297	-1.341

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8791	1.2092	3.3353	1.3148	3.6674	1.0972	4.9755	2.7731	1.8991
C2	3.8791		3.3353	1.2092	3.6674	1.3148	4.9755	1.0972	1.8991	2.7731
O3	1.2092	3.3353		3.1821	2.2488	2.7678	2.0243	4.4047	1.7935	2.3705
O4	3.3353	1.2092	3.1821		2.7678	2.2488	4.4047	2.0243	2.3705	1.7935
O5	1.3148	3.6674	2.2488	2.7678		3.9128	1.9964	4.7016	3.2339	0.9848
O6	3.6674	1.3148	2.7678	2.2488	3.9128		4.7016	1.9964	0.9848	3.2339
H7	1.0972	4.9755	2.0243	4.4047	1.9964	4.7016		6.0722	3.7663	2.8327
H8	4.9755	1.0972	4.4047	2.0243	4.7016	1.9964	6.0722		2.8327	3.7663
H9	2.7731	1.8991	1.7935	2.3705	3.2339	0.9848	3.7663	2.8327		2.7470
H10	1.8991	2.7731	2.3705	1.7935	0.9848	3.2339	2.8327	3.7663	2.7470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	133.968	C1	O5	H10	110.527
C2	O4	H10	133.968	C2	O6	H9	110.527
O3	C1	O5	125.937	O3	C1	H7	122.655
O3	H9	O6	169.567	O4	C2	O6	125.937
O4	C2	H8	122.655	O4	H10	O5	169.567
O5	C1	H7	111.408	O6	C2	H8	111.408

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

using model chemistry: B3LYP/Def2TZVPP

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	0.255
2	C	0.255
3	O	-0.356
4	O	-0.356
5	O	-0.270
6	O	-0.270
7	H	0.115
8	H	0.115
9	H	0.256
10	H	0.256

	x	y	z
x	7.094	-0.605	0.000
y	-0.605	7.349	0.000
z	0.000	0.000	3.803

<r²>	183.432
(<r²>)^1/2	13.544

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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