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	hartrees
Energy at 0K	-379.471722
Energy at 298.15K	-379.477686
HF Energy	-379.471722
Nuclear repulsion energy	237.213213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3137	2986	0.00
2	A_g	3030	2884	0.00
3	A_g	1734	1650	0.00
4	A_g	1491	1419	0.00
5	A_g	1418	1349	0.00
6	A_g	1300	1237	0.00
7	A_g	693	659	0.00
8	A_g	209	199	0.00
9	A_g	174	165	0.00
10	A_u	1125	1071	120.95
11	A_u	1029	979	128.84
12	A_u	191	182	11.24
13	A_u	78	74	2.48
14	B_g	1090	1038	0.00
15	B_g	1016	967	0.00
16	B_g	268	255	0.00
17	B_u	3175	3022	1499.04
18	B_u	3116	2966	1507.60
19	B_u	1817	1729	899.54
20	B_u	1459	1389	1.21
21	B_u	1416	1348	66.33
22	B_u	1300	1237	326.93
23	B_u	730	695	42.22
24	B_u	286	272	83.78

Atom	x (Å)	y (Å)
C1	1.613	-0.968
C2	-1.613	0.968
O3	1.613	0.256
O4	-1.613	-0.256
O5	0.560	-1.738
O6	-0.560	1.738
H7	2.546	-1.541
H8	-2.546	1.541
H9	0.283	1.190
H10	-0.283	-1.190

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7610	1.2235	3.3026	1.3045	3.4698	1.0956	4.8566	2.5342	1.9081
C2	3.7610		3.3026	1.2235	3.4698	1.3045	4.8566	1.0956	1.9081	2.5342
O3	1.2235	3.3026		3.2654	2.2548	2.6298	2.0248	4.3527	1.6249	2.3836
O4	3.3026	1.2235	3.2654		2.6298	2.2548	4.3527	2.0248	2.3836	1.6249
O5	1.3045	3.4698	2.2548	2.6298		3.6520	1.9962	4.5164	2.9408	1.0052
O6	3.4698	1.3045	2.6298	2.2548	3.6520		4.5164	1.9962	1.0052	2.9408
H7	1.0956	4.8566	2.0248	4.3527	1.9962	4.5164		5.9522	3.5467	2.8506
H8	4.8566	1.0956	4.3527	2.0248	4.5164	1.9962	5.9522		2.8506	3.5467
H9	2.5342	1.9081	1.6249	2.3836	2.9408	1.0052	3.5467	2.8506		2.4456
H10	1.9081	2.5342	2.3836	1.6249	1.0052	2.9408	2.8506	3.5467	2.4456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	125.073	C1	O5	H10	110.737
C2	O4	H10	125.073	C2	O6	H9	110.737
O3	C1	O5	126.202	O3	C1	H7	121.543
O3	H9	O6	177.987	O4	C2	O6	126.202
O4	C2	H8	121.543	O4	H10	O5	177.987
O5	C1	H7	112.255	O6	C2	H8	112.255

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

using model chemistry: mPW1PW91/6-31+G**

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	0.358
2	C	0.358
3	O	-0.529
4	O	-0.529
5	O	-0.441
6	O	-0.441
7	H	0.154
8	H	0.154
9	H	0.458
10	H	0.458

	x	y	z
x	6.851	-0.412	0.000
y	-0.412	7.422	0.000
z	0.000	0.000	3.667

<r²>	180.534
(<r²>)^1/2	13.436

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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