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	hartrees
Energy at 0K	-379.707736
Energy at 298.15K	-379.713706
HF Energy	-379.707736
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	236.299590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3061	2959	0.00
2	A_g	3033	2932	0.00
3	A_g	1701	1644	0.00
4	A_g	1484	1435	0.00
5	A_g	1407	1360	0.00
6	A_g	1261	1219	0.00
7	A_g	692	668	0.00
8	A_g	214	206	0.00
9	A_g	176	170	0.00
10	A_u	1103	1067	65.15
11	A_u	1004	971	137.55
12	A_u	189	182	9.53
13	A_u	77	74	2.13
14	B_g	1080	1044	0.00
15	B_g	984	951	0.00
16	B_g	270	261	0.00
17	B_u	3161	3056	2146.50
18	B_u	3049	2947	588.20
19	B_u	1778	1719	774.39
20	B_u	1453	1404	0.45
21	B_u	1406	1359	48.23
22	B_u	1264	1222	326.77
23	B_u	727	703	38.82
24	B_u	285	276	74.82

Atom	x (Å)	y (Å)
C1	1.637	-0.954
C2	-1.637	0.954
O3	1.637	0.264
O4	-1.637	-0.264
O5	0.585	-1.732
O6	-0.585	1.732
H7	2.569	-1.529
H8	-2.569	1.529
H9	0.259	1.191
H10	-0.259	-1.191

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7891	1.2181	3.3457	1.3089	3.4860	1.0952	4.8840	2.5490	1.9108
C2	3.7891		3.3457	1.2181	3.4860	1.3089	4.8840	1.0952	1.9108	2.5490
O3	1.2181	3.3457		3.3162	2.2570	2.6630	2.0213	4.3917	1.6603	2.3900
O4	3.3457	1.2181	3.3162		2.6630	2.2570	4.3917	2.0213	2.3900	1.6603
O5	1.3089	3.4860	2.2570	2.6630		3.6570	1.9942	4.5370	2.9412	1.0029
O6	3.4860	1.3089	2.6630	2.2570	3.6570		4.5370	1.9942	1.0029	2.9412
H7	1.0952	4.8840	2.0213	4.3917	1.9942	4.5370		5.9790	3.5683	2.8480
H8	4.8840	1.0952	4.3917	2.0213	4.5370	1.9942	5.9790		2.8480	3.5683
H9	2.5490	1.9108	1.6603	2.3900	2.9412	1.0029	3.5683	2.8480		2.4372
H10	1.9108	2.5490	2.3900	1.6603	1.0029	2.9412	2.8480	3.5683	2.4372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	123.917	C1	O5	H10	110.799
C2	O4	H10	123.917	C2	O6	H9	110.799
O3	C1	O5	126.504	O3	C1	H7	121.712
O3	H9	O6	178.781	O4	C2	O6	126.504
O4	C2	H8	121.712	O4	H10	O5	178.781
O5	C1	H7	111.785	O6	C2	H8	111.785

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

using model chemistry: B3LYPultrafine/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	0.243
2	C	0.243
3	O	-0.351
4	O	-0.351
5	O	-0.251
6	O	-0.251
7	H	0.102
8	H	0.102
9	H	0.258
10	H	0.258

	x	y	z
x	6.967	-0.684	0.000
y	-0.684	7.103	0.000
z	0.000	0.000	3.551

<r²>	182.566
(<r²>)^1/2	13.512

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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