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	hartrees
Energy at 0K	-189.982830
Energy at 298.15K	-189.985433
HF Energy	-189.982830
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	68.167843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4203	3802	147.83
2	A	4074	3685	129.41
3	A	3187	2883	65.74
4	A	3107	2810	59.07
5	A	1978	1790	156.95
6	A	1762	1594	96.16
7	A	1649	1491	32.14
8	A	1374	1242	19.40
9	A	1346	1218	3.75
10	A	457	413	116.95
11	A	328	296	99.36
12	A	149	135	29.70
13	A	143	129	0.08
14	A	59	54	46.33
15	A	54	49	150.13

Atom	x (Å)	y (Å)	z (Å)
H1	1.169	-0.381	-0.001
O2	1.929	0.180	-0.000
O3	-0.940	-0.649	-0.001
H4	2.682	-0.384	0.004
C5	-1.413	0.434	0.000
H6	-0.793	1.331	-0.004
H7	-2.494	0.584	0.006

	H1	O2	O3	H4	C5	H6	H7
H1		0.9448	2.1262	1.5124	2.7077	2.6038	3.7880
O2	0.9448		2.9868	0.9401	3.3518	2.9552	4.4414
O3	2.1262	2.9868		3.6313	1.1820	1.9857	1.9841
H4	1.5124	0.9401	3.6313		4.1753	3.8743	5.2651
C5	2.7077	3.3518	1.1820	4.1753		1.0906	1.0912
H6	2.6038	2.9552	1.9857	3.8743	1.0906		1.8576
H7	3.7880	4.4414	1.9841	5.2651	1.0912	1.8576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.707	H1	O3	C5	106.335
O2	H1	O3	150.811	O3	C5	H6	121.752
O3	C5	H7	121.523	H6	C5	H7	116.725

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

using model chemistry: HF/daug-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	0.397
2	O	-0.660
3	O	-0.945
4	H	0.246
5	C	-0.994
6	H	1.032
7	H	0.924

	x	y	z	Total
	-1.448	0.665	0.009	1.593
CHELPG
AIM
ESP

	x	y	z
x	4.101	-0.326	-0.003
y	-0.326	3.919	-0.001
z	-0.003	-0.001	2.847

<r²>	82.044
(<r²>)^1/2	9.058

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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