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	hartrees
Energy at 0K	-190.641457
Energy at 298.15K	-190.644385
HF Energy	-189.975404
Counterpoise corrected energy	-190.640406
CP Energy at 298.15K	-190.643262
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	69.152126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3961	3763	117.48
2	A	3768	3579	213.86
3	A	3093	2938	49.09
4	A	2998	2848	53.93
5	A	1757	1670	50.51
6	A	1649	1567	85.72
7	A	1546	1469	22.48
8	A	1284	1220	8.11
9	A	1212	1152	6.72
10	A	532	506	83.37
11	A	372	354	114.33
12	A	192	182	31.96
13	A	181	172	0.36
14	A	106	101	43.69
15	A	66	63	144.51

Atom	x (Å)	y (Å)	z (Å)
H1	1.042	-0.428	-0.000
O2	1.795	0.176	-0.001
O3	-0.918	-0.683	-0.000
H4	2.567	-0.391	0.005
C5	-1.285	0.473	0.000
H6	-0.563	1.301	0.001
H7	-2.353	0.729	-0.000

	H1	O2	O3	H4	C5	H6	H7
H1		0.9659	1.9760	1.5253	2.4954	2.3590	3.5866
O2	0.9659		2.8457	0.9575	3.0945	2.6128	4.1848
O3	1.9760	2.8457		3.4966	1.2133	2.0148	2.0133
H4	1.5253	0.9575	3.4966		3.9475	3.5577	5.0455
C5	2.4954	3.0945	1.2133	3.9475		1.0977	1.0981
H6	2.3590	2.6128	2.0148	3.5577	1.0977		1.8787
H7	3.5866	4.1848	2.0133	5.0455	1.0981	1.8787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.939	H1	O3	C5	100.218
O2	H1	O3	148.663	O3	C5	H6	121.268
O3	C5	H7	121.079	H6	C5	H7	117.653

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

using model chemistry: MP2/6-311+G(3df,2pd)

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: MP2/6-311+G(3df,2pd)

States and conformations

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