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	hartrees
Energy at 0K	-190.918347
Energy at 298.15K	-190.921069
HF Energy	-190.918347
Nuclear repulsion energy	67.850443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3808	3749	81.67
2	A	3607	3552	263.97
3	A	2908	2864	89.01
4	A	2843	2800	82.63
5	A	1747	1720	97.47
6	A	1632	1607	68.52
7	A	1499	1476	19.90
8	A	1244	1225	7.92
9	A	1173	1155	5.82
10	A	496	488	76.34
11	A	354	348	95.67
12	A	170	168	28.96
13	A	150	148	0.05
14	A	86	85	35.32
15	A	44	43	121.78

Atom	x (Å)	y (Å)	z (Å)
H1	1.087	-0.353	-0.011
O2	1.893	0.191	-0.021
O3	-0.901	-0.666	-0.006
H4	2.611	-0.430	0.146
C5	-1.394	0.440	0.008
H6	-0.771	1.358	0.027
H7	-2.495	0.583	0.003

	H1	O2	O3	H4	C5	H6	H7
H1		0.9728	2.0124	1.5347	2.6044	2.5256	3.7022
O2	0.9728		2.9226	0.9639	3.2962	2.9082	4.4055
O3	2.0124	2.9226		3.5239	1.2107	2.0278	2.0249
H4	1.5347	0.9639	3.5239		4.1008	3.8271	5.2079
C5	2.6044	3.2962	1.2107	4.1008		1.1092	1.1105
H6	2.5256	2.9082	2.0278	3.8271	1.1092		1.8904
H7	3.7022	4.4055	2.0249	5.2079	1.1105	1.8904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.827	H1	O3	C5	105.075
O2	H1	O3	154.902	O3	C5	H6	121.818
O3	C5	H7	121.405	H6	C5	H7	116.777

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

using model chemistry: B97D3/aug-cc-pVTZ

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	0.277
2	O	-0.408
3	O	-0.438
4	H	0.151
5	C	-0.144
6	H	0.296
7	H	0.267

	x	y	z	Total
	-1.596	0.414	0.294	1.675
CHELPG
AIM
ESP

	x	y	z
x	5.068	-0.381	0.012
y	-0.381	4.515	0.016
z	0.012	0.016	3.334

<r²>	80.241
(<r²>)^1/2	8.958

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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