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	hartrees
Energy at 0K	-379.514740
Energy at 298.15K	-379.520738
HF Energy	-379.514740
Nuclear repulsion energy	236.991315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3077	2964	0.00
2	A_g	3050	2938	0.00
3	A_g	1727	1664	0.00
4	A_g	1492	1437	0.00
5	A_g	1407	1355	0.00
6	A_g	1282	1235	0.00
7	A_g	695	669	0.00
8	A_g	212	204	0.00
9	A_g	176	169	0.00
10	A_u	1115	1074	96.61
11	A_u	1016	978	148.66
12	A_u	192	185	8.91
13	A_u	77	75	2.19
14	B_g	1086	1046	0.00
15	B_g	1000	964	0.00
16	B_g	281	270	0.00
17	B_u	3183	3065	2189.58
18	B_u	3065	2952	614.09
19	B_u	1808	1741	812.05
20	B_u	1458	1404	1.70
21	B_u	1408	1356	51.26
22	B_u	1283	1235	323.80
23	B_u	730	703	44.01
24	B_u	288	277	75.25

Atom	x (Å)	y (Å)
C1	1.617	-0.967
C2	-1.617	0.967
O3	1.617	0.251
O4	-1.617	-0.251
O5	0.569	-1.745
O6	-0.569	1.745
H7	2.551	-1.543
H8	-2.551	1.543
H9	0.270	1.196
H10	-0.270	-1.196

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7679	1.2180	3.3120	1.3050	3.4827	1.0978	4.8656	2.5474	1.9011
C2	3.7679		3.3120	1.2180	3.4827	1.3050	4.8656	1.0978	1.9011	2.5474
O3	1.2180	3.3120		3.2724	2.2540	2.6472	2.0228	4.3638	1.6447	2.3779
O4	3.3120	1.2180	3.2724		2.6472	2.2540	4.3638	2.0228	2.3779	1.6447
O5	1.3050	3.4827	2.2540	2.6472		3.6698	1.9929	4.5324	2.9552	1.0028
O6	3.4827	1.3050	2.6472	2.2540	3.6698		4.5324	1.9929	1.0028	2.9552
H7	1.0978	4.8656	2.0228	4.3638	1.9929	4.5324		5.9633	3.5640	2.8431
H8	4.8656	1.0978	4.3638	2.0228	4.5324	1.9929	5.9633		2.8431	3.5640
H9	2.5474	1.9011	1.6447	2.3779	2.9552	1.0028	3.5640	2.8431		2.4515
H10	1.9011	2.5474	2.3779	1.6447	1.0028	2.9552	2.8431	3.5640	2.4515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	125.055	C1	O5	H10	110.239
C2	O4	H10	125.055	C2	O6	H9	110.239
O3	C1	O5	126.568	O3	C1	H7	121.648
O3	H9	O6	178.138	O4	C2	O6	126.568
O4	C2	H8	121.648	O4	H10	O5	178.138
O5	C1	H7	111.784	O6	C2	H8	111.784

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

using model chemistry: B3PW91/6-311G**

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	0.280
2	C	0.280
3	O	-0.405
4	O	-0.405
5	O	-0.291
6	O	-0.291
7	H	0.120
8	H	0.120
9	H	0.297
10	H	0.297

	x	y	z
x	6.292	-0.684	0.000
y	-0.684	6.605	0.000
z	0.000	0.000	2.876

<r²>	181.084
(<r²>)^1/2	13.457

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

using model chemistry: B3PW91/6-311G**

States and conformations

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