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	hartrees
Energy at 0K	-190.454509
Energy at 298.15K
HF Energy	-189.911444
Nuclear repulsion energy	68.767416

Atom	x (Å)	y (Å)	z (Å)
H1	1.120	-0.449	-0.126
O2	1.880	0.140	-0.079
O3	-0.963	-0.678	-0.007
H4	2.426	-0.187	0.637
C5	-1.318	0.480	0.020
H6	-0.595	1.303	0.016
H7	-2.380	0.756	0.043

	H1	O2	O3	H4	C5	H6	H7
H1		0.9628	2.0986	1.5354	2.6134	2.4555	3.7057
O2	0.9628		2.9589	0.9585	3.2180	2.7359	4.3064
O3	2.0986	2.9589		3.4843	1.2110	2.0146	2.0165
H4	1.5354	0.9585	3.4843		3.8533	3.4252	4.9341
C5	2.6134	3.2180	1.2110	3.8533		1.0963	1.0974
H6	2.4555	2.7359	2.0146	3.4252	1.0963		1.8680
H7	3.7057	4.3064	2.0165	4.9341	1.0974	1.8680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.105	H1	O3	C5	100.880
O2	H1	O3	147.924	O3	C5	H6	121.573
O3	C5	H7	121.668	H6	C5	H7	116.757

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

using model chemistry: MP3=FULL/6-31+G**

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

using model chemistry: MP3=FULL/6-31+G**

States and conformations

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