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	hartrees
Energy at 0K	-190.929113
Energy at 298.15K	-190.932370
HF Energy	-190.929113
Nuclear repulsion energy	69.418608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3964	3791	58.20
2	A	3814	3648	122.40
3	A	3024	2892	67.00
4	A	2937	2809	66.45
5	A	1841	1761	104.54
6	A	1666	1593	54.21
7	A	1536	1469	16.68
8	A	1285	1229	8.56
9	A	1228	1175	3.57
10	A	581	556	238.11
11	A	307	293	69.97
12	A	228	218	73.73
13	A	193	184	58.52
14	A	178	171	48.56
15	A	166	159	35.78

Atom	x (Å)	y (Å)	z (Å)
H1	1.100	-0.468	-0.033
O2	1.850	0.131	-0.087
O3	-0.965	-0.674	-0.007
H4	2.446	-0.153	0.604
C5	-1.289	0.482	0.019
H6	-0.536	1.290	0.049
H7	-2.353	0.785	0.018

	H1	O2	O3	H4	C5	H6	H7
H1		0.9611	2.0758	1.5216	2.5708	2.4025	3.6733
O2	0.9611		2.9292	0.9556	3.1596	2.6557	4.2545
O3	2.0758	2.9292		3.5044	1.2005	2.0114	2.0136
H4	1.5216	0.9556	3.5044		3.8330	3.3589	4.9245
C5	2.5708	3.1596	1.2005	3.8330		1.1050	1.1066
H6	2.4025	2.6557	2.0114	3.3589	1.1050		1.8862
H7	3.6733	4.2545	2.0136	4.9245	1.1066	1.8862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.100	H1	O3	C5	99.922
O2	H1	O3	147.029	O3	C5	H6	121.437
O3	C5	H7	121.516	H6	C5	H7	117.047

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	H	0.252
2	O	-0.499
3	O	-0.289
4	H	0.242
5	C	0.085
6	H	0.109
7	H	0.101

	x	y	z	Total
	-1.543	1.170	1.485	2.440
CHELPG
AIM
ESP

	x	y	z
x	3.565	-0.306	0.138
y	-0.306	3.391	-0.000
z	0.138	-0.000	2.064

<r²>	73.728
(<r²>)^1/2	8.587

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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