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	hartrees
Energy at 0K	-190.858820
Energy at 298.15K	-190.862070
HF Energy	-190.858820
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3917	3715	66.90
2	A	3755	3561	125.58
3	A	3072	2914	61.79
4	A	2983	2829	66.43
5	A	1857	1761	96.65
6	A	1745	1655	76.07
7	A	1550	1470	12.69
8	A	1291	1224	6.81
9	A	1224	1161	3.47
10	A	618	586	259.62
11	A	319	302	78.98
12	A	225	213	71.84
13	A	202	192	28.59
14	A	180	171	86.15
15	A	146	138	30.49

Atom	x (Å)	y (Å)	z (Å)
H1	1.097	-0.466	-0.050
O2	1.850	0.138	-0.081
O3	-0.965	-0.678	-0.008
H4	2.465	-0.193	0.580
C5	-1.291	0.483	0.019
H6	-0.543	1.296	0.043
H7	-2.356	0.786	0.027

	H1	O2	O3	H4	C5	H6	H7
H1		0.9661	2.0733	1.5301	2.5710	2.4092	3.6743
O2	0.9661		2.9320	0.9613	3.1620	2.6614	4.2575
O3	2.0733	2.9320		3.5131	1.2066	2.0196	2.0205
H4	1.5301	0.9613	3.5131		3.8570	3.3984	4.9501
C5	2.5710	3.1620	1.2066	3.8570		1.1054	1.1074
H6	2.4092	2.6614	2.0196	3.3984	1.1054		1.8837
H7	3.6743	4.2575	2.0205	4.9501	1.1074	1.8837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.095	H1	O3	C5	99.850
O2	H1	O3	147.131	O3	C5	H6	121.690
O3	C5	H7	121.604	H6	C5	H7	116.706

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	H	0.423
2	O	-0.840
3	O	-0.363
4	H	0.398
5	C	0.049
6	H	0.178
7	H	0.155

	x	y	z	Total
	-1.535	1.057	1.486	2.384
CHELPG
AIM
ESP

	x	y	z
x	3.460	-0.251	0.170
y	-0.251	3.129	-0.040
z	0.170	-0.040	1.780

<r²>	73.173
(<r²>)^1/2	8.554

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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