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	hartrees
Energy at 0K	-265.655779
Energy at 298.15K	-265.659641
HF Energy	-264.897448
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	116.979229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3950	3744	102.22
2	A	3788	3591	107.70
3	A	3769	3573	96.16
4	A	3173	3008	12.68
5	A	1793	1700	330.13
6	A	1636	1551	95.06
7	A	1450	1374	3.74
8	A	1332	1263	19.15
9	A	1157	1096	274.35
10	A	1078	1022	4.54
11	A	688	652	166.32
12	A	646	612	48.04
13	A	473	448	160.48
14	A	322	305	160.75
15	A	158	150	11.35
16	A	95	90	121.79
17	A	71	67	8.46
18	A	63	59	38.18

Atom	x (Å)	y (Å)	z (Å)
H1	-1.786	0.409	-0.033
O2	-2.420	-0.320	-0.055
O3	0.193	0.914	-0.001
H4	-3.224	0.054	0.314
C5	0.692	-0.188	0.030
O6	2.012	-0.425	-0.006
H7	0.132	-1.123	0.088
H8	2.449	0.440	-0.060

	H1	O2	O3	H4	C5	O6	H7	H8
H1		0.9663	2.0426	1.5209	2.5502	3.8889	2.4579	4.2355
O2	0.9663		2.8899	0.9603	3.1162	4.4335	2.6791	4.9280
O3	2.0426	2.8899		3.5371	1.2102	2.2589	2.0392	2.3061
H4	1.5209	0.9603	3.5371		3.9340	5.2675	3.5636	5.6984
C5	2.5502	3.1162	1.2102	3.9340		1.3413	1.0911	1.8679
O6	3.8889	4.4335	2.2589	5.2675	1.3413		2.0072	0.9713
H7	2.4579	2.6791	2.0392	3.5636	1.0911	2.0072		2.7988
H8	4.2355	4.9280	2.3061	5.6984	1.8679	0.9713	2.7988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.261	H1	O3	C5	100.102
O2	H1	O3	145.306	O3	C5	O6	124.505
O3	C5	H7	124.696	C5	O6	H8	106.655
O6	C5	H7	110.799

All results from a given calculation for H₂OHCOOH (Water formic acid dimer 2)

using model chemistry: MP2/TZVP

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 H2OHCOOH (Water formic acid dimer 2)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for H₂OHCOOH (Water formic acid dimer 2)