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	hartrees
Energy at 0K	-190.459374
Energy at 298.15K	-190.462599
Counterpoise corrected energy	-190.459374
CP Energy at 298.15K	-190.462599
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	68.693775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3920	3761	65.69
2	A	3815	3660	61.98
3	A	3076	2951	70.35
4	A	2980	2859	66.08
5	A	1791	1718	76.44
6	A	1719	1649	50.14
7	A	1532	1470	12.80
8	A	1278	1226	8.26
9	A	1212	1163	2.60
10	A	541	519	210.83
11	A	308	296	51.86
12	A	232	223	55.20
13	A	184	177	19.08
14	A	181	174	109.18
15	A	166	159	13.59

Atom	x (Å)	y (Å)	z (Å)
H1	1.090	-0.507	-0.155
O2	1.838	0.106	-0.094
O3	-0.973	-0.685	0.002
H4	2.132	-0.027	0.816
C5	-1.236	0.504	0.009
H6	-0.435	1.276	-0.028
H7	-2.291	0.867	0.051

	H1	O2	O3	H4	C5	H6	H7
H1		0.9689	2.0774	1.5031	2.5419	2.3496	3.6554
O2	0.9689		2.9225	0.9653	3.1021	2.5579	4.2014
O3	2.0774	2.9225		3.2773	1.2174	2.0332	2.0363
H4	1.5031	0.9653	3.2773		3.5044	3.0001	4.5769
C5	2.5419	3.1021	1.2174	3.5044		1.1129	1.1162
H6	2.3496	2.5579	2.0332	3.0001	1.1129		1.9016
H7	3.6554	4.2014	2.0363	4.5769	1.1162	1.9016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	102.001	H1	O3	C5	97.537
O2	H1	O3	144.735	O3	C5	H6	121.438
O3	C5	H7	121.462	H6	C5	H7	117.100

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

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

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