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	hartrees
Energy at 0K	-374.302536
Energy at 298.15K	-374.308940
HF Energy	-374.302536
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3178	3178	0.00
2	A_g	2111	2111	0.00
3	A_g	1758	1758	0.00
4	A_g	1412	1412	0.00
5	A_g	1292	1292	0.00
6	A_g	1037	1037	0.00
7	A_g	675	675	0.00
8	A_g	509	509	0.00
9	A_g	252	252	0.00
10	A_u	1389	1389	156.37
11	A_u	905	905	4.34
12	A_u	239	239	2.99
13	A_u	84	84	0.00
14	B_g	1382	1382	0.00
15	B_g	932	932	0.00
16	B_g	330	330	0.00
17	B_u	3175	3175	8.30
18	B_u	2646	2646	5550.29
19	B_u	1728	1728	136.78
20	B_u	1701	1701	72.07
21	B_u	1404	1404	43.12
22	B_u	1270	1270	70.82
23	B_u	748	748	2.80
24	B_u	596	596	0.67

Atom	x (Å)	y (Å)
C1	0.000	1.783
C2	-0.000	-1.783
O3	-1.203	1.219
O4	1.203	-1.219
O5	1.203	1.218
O6	-1.203	-1.218
H7	0.001	2.912
H8	-0.001	-2.912
H9	-1.133	0.001
H10	1.133	-0.001

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.5670	1.3289	3.2342	1.3286	3.2337	1.1285	4.6955	2.1127	2.1135
C2	3.5670		3.2342	1.3289	3.2337	1.3286	4.6955	1.1285	2.1135	2.1127
O3	1.3289	3.2342		3.4248	2.4054	2.4371	2.0770	4.3023	1.2202	2.6352
O4	3.2342	1.3289	3.4248		2.4371	2.4054	4.3023	2.0770	2.6352	1.2202
O5	1.3286	3.2337	2.4054	2.4371		3.4237	2.0771	4.3018	2.6342	1.2208
O6	3.2337	1.3286	2.4371	2.4054	3.4237		4.3018	2.0771	1.2208	2.6342
H7	1.1285	4.6955	2.0770	4.3023	2.0771	4.3018		5.8240	3.1243	3.1252
H8	4.6955	1.1285	4.3023	2.0770	4.3018	2.0771	5.8240		3.1252	3.1243
H9	2.1127	2.1135	1.2202	2.6352	2.6342	1.2208	3.1243	3.1252		2.2665
H10	2.1135	2.1127	2.6352	1.2202	1.2208	2.6342	3.1252	3.1243	2.2665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	111.878	C1	O5	H10	111.922
C2	O4	H10	111.878	C2	O6	H9	111.922
O3	C1	O5	129.679	O3	C1	H7	115.150
O3	H9	O6	173.480	O4	C2	O6	129.679
O4	C2	H8	115.150	O4	H10	O5	173.480
O5	C1	H7	115.171	O6	C2	H8	115.171

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

using model chemistry: B97D3/STO-3G

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	0.139
2	C	0.139
3	O	-0.214
4	O	-0.214
5	O	-0.214
6	O	-0.214
7	H	0.081
8	H	0.081
9	H	0.208
10	H	0.208

<r²>	171.255
(<r²>)^1/2	13.086

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

using model chemistry: B97D3/STO-3G

States and conformations

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