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	hartrees
Energy at 0K	-379.588967
Energy at 298.15K	-379.594772
HF Energy	-379.588967
Nuclear repulsion energy	232.488818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2994	2986	0.00
2	A_g	2979	2972	0.00
3	A_g	1648	1644	0.00
4	A_g	1435	1431	0.00
5	A_g	1363	1360	0.00
6	A_g	1192	1189	0.00
7	A_g	661	660	0.00
8	A_g	207	206	0.00
9	A_g	173	172	0.00
10	A_u	1056	1054	109.16
11	A_u	944	942	149.30
12	A_u	179	179	4.79
13	A_u	74	74	1.73
14	B_g	1026	1023	0.00
15	B_g	932	930	0.00
16	B_g	270	270	0.00
17	B_u	3093	3085	1577.21
18	B_u	2974	2967	571.31
19	B_u	1710	1706	701.03
20	B_u	1411	1407	0.25
21	B_u	1362	1359	39.53
22	B_u	1195	1192	318.73
23	B_u	689	688	37.00
24	B_u	271	270	57.26

Atom	x (Å)	y (Å)
C1	1.661	-0.980
C2	-1.661	0.980
O3	1.661	0.250
O4	-1.661	-0.250
O5	0.600	-1.780
O6	-0.600	1.780
H7	2.598	-1.565
H8	-2.598	1.565
H9	0.250	1.236
H10	-0.250	-1.236

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8575	1.2304	3.4016	1.3284	3.5682	1.1043	4.9616	2.6270	1.9287
C2	3.8575		3.4016	1.2304	3.5682	1.3284	4.9616	1.1043	1.9287	2.6270
O3	1.2304	3.4016		3.3599	2.2905	2.7303	2.0428	4.4573	1.7209	2.4214
O4	3.4016	1.2304	3.3599		2.7303	2.2905	4.4573	2.0428	2.4214	1.7209
O5	1.3284	3.5682	2.2905	2.7303		3.7567	2.0088	4.6279	3.0360	1.0099
O6	3.5682	1.3284	2.7303	2.2905	3.7567		4.6279	2.0088	1.0099	3.0360
H7	1.1043	4.9616	2.0428	4.4573	2.0088	4.6279		6.0657	3.6546	2.8672
H8	4.9616	1.1043	4.4573	2.0428	4.6279	2.0088	6.0657		2.8672	3.6546
H9	2.6270	1.9287	1.7209	2.4214	3.0360	1.0099	3.6546	2.8672		2.5221
H10	1.9287	2.6270	2.4214	1.7209	1.0099	3.0360	2.8672	3.6546	2.5221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	124.938	C1	O5	H10	110.402
C2	O4	H10	124.938	C2	O6	H9	110.402
O3	C1	O5	127.014	O3	C1	H7	121.990
O3	H9	O6	177.646	O4	C2	O6	127.014
O4	C2	H8	121.990	O4	H10	O5	177.646
O5	C1	H7	110.996	O6	C2	H8	110.996

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

using model chemistry: BLYP/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	0.168
2	C	0.168
3	O	-0.346
4	O	-0.346
5	O	-0.408
6	O	-0.408
7	H	0.193
8	H	0.193
9	H	0.392
10	H	0.392

	x	y	z
x	6.781	-0.796	0.000
y	-0.796	6.959	0.000
z	0.000	0.000	2.851

<r²>	189.302
(<r²>)^1/2	13.759

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

using model chemistry: BLYP/6-311G*

States and conformations

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