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	hartrees
Energy at 0K	-376.126374
Energy at 298.15K	-376.132577
HF Energy	-375.434500
Counterpoise corrected energy	-376.126374
CP Energy at 298.15K	-376.132577
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	232.740799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3172	3007	0.00
2	A_g	2825	2678	0.00
3	A_g	1650	1564	0.00
4	A_g	1521	1442	0.00
5	A_g	1463	1387	0.00
6	A_g	1225	1161	0.00
7	A_g	682	647	0.00
8	A_g	252	239	0.00
9	A_g	186	177	0.00
10	A_u	1186	1124	252.42
11	A_u	1035	981	145.23
12	A_u	208	197	9.35
13	A_u	92	87	0.38
14	B_g	1134	1075	0.00
15	B_g	1050	995	0.00
16	B_g	307	291	0.00
17	B_u	3174	3009	4.83
18	B_u	2987	2832	2536.44
19	B_u	1693	1605	445.21
20	B_u	1505	1426	22.15
21	B_u	1468	1392	117.89
22	B_u	1220	1156	299.18
23	B_u	719	681	24.88
24	B_u	344	326	72.01

Atom	x (Å)	y (Å)
C1	1.894	-0.101
C2	-1.894	0.101
O3	1.313	1.013
O4	-1.313	-1.013
O5	1.313	-1.312
O6	-1.313	1.312
H7	2.979	-0.183
H8	-2.979	0.183
H9	-0.285	1.253
H10	0.285	-1.253

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7925	1.2563	3.3333	1.3424	3.5038	1.0886	4.8809	2.5648	1.9784
C2	3.7925		3.3333	1.2563	3.5038	1.3424	4.8809	1.0886	1.9784	2.5648
O3	1.2563	3.3333		3.3159	2.3242	2.6424	2.0510	4.3712	1.6154	2.4878
O4	3.3333	1.2563	3.3159		2.6424	2.3242	4.3712	2.0510	2.4878	1.6154
O5	1.3424	3.5038	2.3242	2.6424		3.7113	2.0123	4.5447	3.0212	1.0297
O6	3.5038	1.3424	2.6424	2.3242	3.7113		4.5447	2.0123	1.0297	3.0212
H7	1.0886	4.8809	2.0510	4.3712	2.0123	4.5447		5.9693	3.5657	2.8988
H8	4.8809	1.0886	4.3712	2.0510	4.5447	2.0123	5.9693		2.8988	3.5657
H9	2.5648	1.9784	1.6154	2.4878	3.0212	1.0297	3.5657	2.8988		2.5694
H10	1.9784	2.5648	2.4878	1.6154	1.0297	3.0212	2.8988	3.5657	2.5694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	126.083	C1	O5	H10	112.361
C2	O4	H10	126.083	C2	O6	H9	112.361
O3	C1	O5	126.829	O3	C1	H7	121.853
O3	H9	O6	174.727	O4	C2	O6	126.829
O4	C2	H8	121.853	O4	H10	O5	174.727
O5	C1	H7	111.318	O6	C2	H8	111.318

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

using model chemistry: MP2=FULL/3-21G*

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: MP2=FULL/3-21G*

States and conformations

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