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	hartrees
Energy at 0K	-190.434945
Energy at 298.15K	-190.437781
HF Energy	-189.909491
Counterpoise corrected energy	-190.433317
CP Energy at 298.15K	-190.436121
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	68.522691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3981	3744	126.49
2	A	3785	3560	149.14
3	A	3168	2980	55.57
4	A	3067	2885	49.40
5	A	1749	1645	47.30
6	A	1641	1544	111.40
7	A	1565	1472	22.47
8	A	1293	1216	6.58
9	A	1220	1148	7.02
10	A	509	478	135.58
11	A	360	339	142.93
12	A	189	178	30.07
13	A	168	158	1.79
14	A	102	96	53.70
15	A	51	48	188.58

Atom	x (Å)	y (Å)	z (Å)
H1	-1.072	-0.455	-0.000
O2	-1.809	0.175	-0.000
O3	0.929	-0.690	-0.000
H4	-2.613	-0.354	0.001
C5	1.298	0.482	0.000
H6	0.576	1.306	0.000
H7	2.364	0.738	-0.000

	H1	O2	O3	H4	C5	H6	H7
H1		0.9697	2.0146	1.5448	2.5477	2.4108	3.6367
O2	0.9697		2.8718	0.9624	3.1223	2.6395	4.2112
O3	2.0146	2.8718		3.5581	1.2285	2.0270	2.0246
H4	1.5448	0.9624	3.5581		3.9994	3.5950	5.0956
C5	2.5477	3.1223	1.2285	3.9994		1.0958	1.0965
H6	2.4108	2.6395	2.0270	3.5950	1.0958		1.8763
H7	3.6367	4.2112	2.0246	5.0956	1.0965	1.8763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.178	H1	O3	C5	100.750
O2	H1	O3	146.252	O3	C5	H6	121.299
O3	C5	H7	120.994	H6	C5	H7	117.707

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

using model chemistry: MP2/6-31+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: MP2/6-31+G**

States and conformations

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