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	hartrees
Energy at 0K	-188.822341
Energy at 298.15K	-188.825968
Counterpoise corrected energy	-188.814940
CP Energy at 298.15K	-188.817567
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	70.324045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3933	3562	63.92
2	A	3799	3440	72.74
3	A	3311	2998	34.88
4	A	3196	2894	42.77
5	A	1881	1703	59.48
6	A	1826	1653	104.64
7	A	1670	1512	28.15
8	A	1374	1244	7.77
9	A	1362	1233	6.42
10	A	649	587	375.81
11	A	380	344	114.31
12	A	304	275	53.84
13	A	230	208	45.91
14	A	205	186	173.20
15	A	196	178	28.91

Atom	x (Å)	y (Å)	z (Å)
H1	1.024	-0.542	-0.146
O2	1.733	0.117	-0.087
O3	-0.932	-0.683	0.003
H4	2.260	-0.074	0.699
C5	-1.182	0.505	0.014
H6	-0.397	1.241	-0.008
H7	-2.200	0.871	0.045

	H1	O2	O3	H4	C5	H6	H7
H1		0.9691	1.9665	1.5684	2.4471	2.2842	3.5249
O2	0.9691		2.7831	0.9657	2.9423	2.4094	4.0060
O3	1.9665	2.7831		3.3229	1.2135	1.9971	2.0060
H4	1.5684	0.9657	3.3229		3.5572	3.0477	4.6055
C5	2.4471	2.9423	1.2135	3.5572		1.0772	1.0818
H6	2.2842	2.4094	1.9971	3.0477	1.0772		1.8412
H7	3.5249	4.0060	2.0060	4.6055	1.0818	1.8412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	108.305	H1	O3	C5	97.813
O2	H1	O3	140.464	O3	C5	H6	121.230
O3	C5	H7	121.737	H6	C5	H7	117.033

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

using model chemistry: HF/3-21G

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	0.400
2	O	-0.777
3	O	-0.517
4	H	0.361
5	C	0.119
6	H	0.225
7	H	0.190

	x	y	z	Total
	-1.177	1.098	1.532	2.222
CHELPG
AIM
ESP

	x	y	z
x	2.694	-0.204	0.318
y	-0.204	2.689	-0.053
z	0.318	-0.053	1.231

<r²>	69.925
(<r²>)^1/2	8.362

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

using model chemistry: HF/3-21G

States and conformations

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