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	hartrees
Energy at 0K	-190.375649
Energy at 298.15K	-190.378885
HF Energy	-189.881550
Counterpoise corrected energy	-190.371381
CP Energy at 298.15K	-190.374128
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	68.571310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3881	3659	89.54
2	A	3725	3513	97.82
3	A	3150	2970	58.51
4	A	3049	2875	54.27
5	A	1764	1664	30.43
6	A	1760	1659	97.27
7	A	1572	1483	10.85
8	A	1300	1226	4.73
9	A	1227	1158	4.56
10	A	589	556	247.85
11	A	332	313	86.39
12	A	228	215	41.21
13	A	197	186	35.20
14	A	167	158	114.02
15	A	152	144	33.10

Atom	x (Å)	y (Å)	z (Å)
H1	1.055	-0.460	-0.170
O2	1.826	0.132	-0.085
O3	-0.940	-0.688	-0.006
H4	2.256	-0.159	0.733
C5	-1.261	0.494	0.018
H6	-0.510	1.297	-0.004
H7	-2.319	0.801	0.060

	H1	O2	O3	H4	C5	H6	H7
H1		0.9752	2.0152	1.5320	2.5115	2.3586	3.6094
O2	0.9752		2.8860	0.9687	3.1093	2.6113	4.2010
O3	2.0152	2.8860		3.3225	1.2244	2.0309	2.0303
H4	1.5320	0.9687	3.3225		3.6473	3.2111	4.7227
C5	2.5115	3.1093	1.2244	3.6473		1.0998	1.1029
H6	2.3586	2.6113	2.0309	3.2111	1.0998		1.8771
H7	3.6094	4.2010	2.0303	4.7227	1.1029	1.8771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.015	H1	O3	C5	98.714
O2	H1	O3	147.558	O3	C5	H6	121.715
O3	C5	H7	121.384	H6	C5	H7	116.901

All results from a given calculation for H₂OH₂CO (water formaldehyde dimer)

using model chemistry: MP2/6-31G*

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 H2OH2CO (water formaldehyde dimer)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for H₂OH₂CO (water formaldehyde dimer)