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	hartrees
Energy at 0K	-190.735859
Energy at 298.15K	-190.738714
Counterpoise corrected energy	-190.735243
CP Energy at 298.15K	-190.738050
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	68.346422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3808	3764	86.37
2	A	3568	3528	279.20
3	A	2941	2907	72.60
4	A	2861	2829	67.60
5	A	1746	1726	90.51
6	A	1588	1569	99.83
7	A	1483	1466	16.24
8	A	1228	1214	4.97
9	A	1155	1142	7.63
10	A	529	523	117.62
11	A	374	370	143.88
12	A	194	192	30.24
13	A	180	178	0.03
14	A	80	79	48.11
15	A	60	60	171.97

Atom	x (Å)	y (Å)	z (Å)
H1	1.046	-0.415	-0.006
O2	1.822	0.187	-0.013
O3	-0.893	-0.682	-0.003
H4	2.600	-0.387	0.087
C5	-1.332	0.460	0.005
H6	-0.655	1.345	0.018
H7	-2.431	0.655	-0.001

	H1	O2	O3	H4	C5	H6	H7
H1		0.9824	1.9567	1.5572	2.5339	2.4474	3.6377
O2	0.9824		2.8507	0.9714	3.1667	2.7348	4.2794
O3	1.9567	2.8507		3.5061	1.2237	2.0412	2.0381
H4	1.5572	0.9714	3.5061		4.0233	3.6875	5.1386
C5	2.5339	3.1667	1.2237	4.0233		1.1150	1.1160
H6	2.4474	2.7348	2.0412	3.6875	1.1150		1.9062
H7	3.6377	4.2794	2.0381	5.1386	1.1160	1.9062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.691	H1	O3	C5	103.215
O2	H1	O3	150.091	O3	C5	H6	121.507
O3	C5	H7	121.101	H6	C5	H7	117.392

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

using model chemistry: PBEPBE/6-31+G**

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	H	0.374
2	O	-0.755
3	O	-0.302
4	H	0.356
5	C	0.022
6	H	0.165
7	H	0.139

	x	y	z	Total
	-1.354	0.274	0.210	1.397
CHELPG
AIM
ESP

	x	y	z
x	4.462	-0.396	0.011
y	-0.396	3.948	0.019
z	0.011	0.019	2.507

<r²>	76.787
(<r²>)^1/2	8.763

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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