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	hartrees
Energy at 0K	-379.528706
Energy at 298.15K	-379.534603
HF Energy	-379.528706
Nuclear repulsion energy	236.517309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3222	3094	0.00
2	A_g	3096	2972	0.00
3	A_g	1765	1695	0.00
4	A_g	1479	1420	0.00
5	A_g	1414	1357	0.00
6	A_g	1284	1233	0.00
7	A_g	693	665	0.00
8	A_g	201	193	0.00
9	A_g	166	159	0.00
10	A_u	1107	1063	53.60
11	A_u	996	956	200.66
12	A_u	182	175	7.78
13	A_u	75	72	2.34
14	B_g	1089	1046	0.00
15	B_g	969	930	0.00
16	B_g	270	260	0.00
17	B_u	3325	3192	2130.22
18	B_u	3090	2967	290.67
19	B_u	1836	1763	830.85
20	B_u	1452	1394	0.96
21	B_u	1414	1357	60.82
22	B_u	1285	1233	339.09
23	B_u	722	694	50.79
24	B_u	269	259	64.71

Atom	x (Å)	y (Å)
C1	1.570	-1.126
C2	-1.570	1.126
O3	1.570	0.080
O4	-1.570	-0.080
O5	0.513	-1.896
O6	-0.513	1.896
H7	2.493	-1.718
H8	-2.493	1.718
H9	0.295	1.341
H10	-0.295	-1.341

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8642	1.2061	3.3101	1.3083	3.6706	1.0964	4.9596	2.7767	1.8779
C2	3.8642		3.3101	1.2061	3.6706	1.3083	4.9596	1.0964	1.8779	2.7767
O3	1.2061	3.3101		3.1449	2.2418	2.7638	2.0216	4.3808	1.7930	2.3454
O4	3.3101	1.2061	3.1449		2.7638	2.2418	4.3808	2.0216	2.3454	1.7930
O5	1.3083	3.6706	2.2418	2.7638		3.9291	1.9875	4.7013	3.2446	0.9807
O6	3.6706	1.3083	2.7638	2.2418	3.9291		4.7013	1.9875	0.9807	3.2446
H7	1.0964	4.9596	2.0216	4.3808	1.9875	4.7013		6.0553	3.7669	2.8133
H8	4.9596	1.0964	4.3808	2.0216	4.7013	1.9875	6.0553		2.8133	3.7669
H9	2.7767	1.8779	1.7930	2.3454	3.2446	0.9807	3.7669	2.8133		2.7461
H10	1.8779	2.7767	2.3454	1.7930	0.9807	3.2446	2.8133	3.7669	2.7461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.667	C1	O5	H10	109.415
C2	O4	H10	134.667	C2	O6	H9	109.415
O3	C1	O5	126.092	O3	C1	H7	122.733
O3	H9	O6	169.825	O4	C2	O6	126.092
O4	C2	H8	122.733	O4	H10	O5	169.825
O5	C1	H7	111.175	O6	C2	H8	111.175

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

using model chemistry: B1B95/6-311G**

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	0.277
2	C	0.277
3	O	-0.402
4	O	-0.402
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	6.141	-0.654	0.000
y	-0.654	6.567	0.000
z	0.000	0.000	2.853

<r²>	183.229
(<r²>)^1/2	13.536

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

using model chemistry: B1B95/6-311G**

States and conformations

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