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	hartrees
Energy at 0K	-379.492143
Energy at 298.15K	-379.498075
HF Energy	-379.040502
Nuclear repulsion energy	236.190718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3109	2983	0.00
2	A_g	3095	2969	0.00
3	A_g	1693	1624	0.00
4	A_g	1483	1423	0.00
5	A_g	1409	1352	0.00
6	A_g	1257	1206	0.00
7	A_g	687	660	0.00
8	A_g	213	204	0.00
9	A_g	173	166	0.00
10	A_u	1113	1068	60.03
11	A_u	1004	963	126.93
12	A_u	185	177	10.24
13	A_u	74	71	2.35
14	B_g	1089	1045	0.00
15	B_g	983	943	0.00
16	B_g	260	249	0.00
17	B_u	3215	3084	2186.91
18	B_u	3097	2972	428.28
19	B_u	1762	1691	780.70
20	B_u	1456	1396	2.22
21	B_u	1405	1348	40.61
22	B_u	1261	1209	332.86
23	B_u	719	690	39.00
24	B_u	281	270	71.04

Atom	x (Å)	y (Å)
C1	1.582	-1.118
C2	-1.582	1.118
O3	1.582	0.093
O4	-1.582	-0.093
O5	0.517	-1.890
O6	-0.517	1.890
H7	2.501	-1.710
H8	-2.501	1.710
H9	0.297	1.340
H10	-0.297	-1.340

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8739	1.2109	3.3255	1.3152	3.6677	1.0934	4.9665	2.7732	1.8921
C2	3.8739		3.3255	1.2109	3.6677	1.3152	4.9665	1.0934	1.8921	2.7732
O3	1.2109	3.3255		3.1692	2.2507	2.7630	2.0236	4.3914	1.7902	2.3630
O4	3.3255	1.2109	3.1692		2.7630	2.2507	4.3914	2.0236	2.3630	1.7902
O5	1.3152	3.6677	2.2507	2.7630		3.9187	1.9924	4.6975	3.2372	0.9826
O6	3.6677	1.3152	2.7630	2.2507	3.9187		4.6975	1.9924	0.9826	3.2372
H7	1.0934	4.9665	2.0236	4.3914	1.9924	4.6975		6.0594	3.7626	2.8227
H8	4.9665	1.0934	4.3914	2.0236	4.6975	1.9924	6.0594		2.8227	3.7626
H9	2.7732	1.8921	1.7902	2.3630	3.2372	0.9826	3.7626	2.8227		2.7447
H10	1.8921	2.7732	2.3630	1.7902	0.9826	3.2372	2.8227	3.7626	2.7447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.143	C1	O5	H10	110.012
C2	O4	H10	134.143	C2	O6	H9	110.012
O3	C1	O5	125.944	O3	C1	H7	122.768
O3	H9	O6	169.901	O4	C2	O6	125.944
O4	C2	H8	122.768	O4	H10	O5	169.901
O5	C1	H7	111.289	O6	C2	H8	111.289

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for C2H4O4 (Formic acid dimer)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

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