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	hartrees
Energy at 0K	-190.466242
Energy at 298.15K	-190.469491
HF Energy	-189.933823
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	68.815719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3964	3767	72.36
2	A	3811	3622	69.72
3	A	3112	2958	64.59
4	A	3011	2861	60.29
5	A	1772	1684	81.54
6	A	1760	1673	62.34
7	A	1564	1487	13.15
8	A	1299	1234	6.52
9	A	1220	1159	5.62
10	A	591	561	272.83
11	A	322	306	91.00
12	A	230	218	60.76
13	A	195	186	33.33
14	A	181	172	103.63
15	A	146	138	62.53

Atom	x (Å)	y (Å)	z (Å)
H1	1.058	-0.453	-0.175
O2	1.822	0.129	-0.083
O3	-0.939	-0.682	-0.004
H4	2.277	-0.143	0.716
C5	-1.261	0.490	0.017
H6	-0.510	1.293	-0.009
H7	-2.323	0.788	0.061

	H1	O2	O3	H4	C5	H6	H7
H1		0.9647	2.0177	1.5412	2.5117	2.3528	3.6093
O2	0.9647		2.8786	0.9587	3.1061	2.6071	4.1990
O3	2.0177	2.8786		3.3396	1.2160	2.0210	2.0196
H4	1.5412	0.9587	3.3396		3.6622	3.2180	4.7386
C5	2.5117	3.1061	1.2160	3.6622		1.1000	1.1029
H6	2.3528	2.6071	2.0210	3.2180	1.1000		1.8831
H7	3.6093	4.1990	2.0196	4.7386	1.1029	1.8831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.506	H1	O3	C5	98.901
O2	H1	O3	147.550	O3	C5	H6	121.455
O3	C5	H7	121.061	H6	C5	H7	117.484

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

using model chemistry: MP2/6-311G*

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

using model chemistry: MP2/6-311G*

States and conformations

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