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	hartrees
Energy at 0K	-189.978639
Energy at 298.15K	-189.981308
Counterpoise corrected energy	-189.978262
CP Energy at 298.15K	-189.980887
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	68.338900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4230	3832	150.26
2	A	4102	3716	131.75
3	A	3187	2887	64.68
4	A	3105	2814	58.51
5	A	1984	1798	156.23
6	A	1764	1598	97.58
7	A	1650	1495	32.16
8	A	1376	1247	19.26
9	A	1348	1221	3.75
10	A	472	427	123.27
11	A	334	303	103.12
12	A	158	143	29.20
13	A	148	134	0.00
14	A	64	58	48.71
15	A	60	54	154.81

Atom	x (Å)	y (Å)	z (Å)
H1	1.162	-0.386	-0.000
O2	1.918	0.179	-0.000
O3	-0.941	-0.651	-0.000
H4	2.673	-0.380	0.003
C5	-1.401	0.436	0.000
H6	-0.771	1.326	0.001
H7	-2.480	0.599	-0.000

	H1	O2	O3	H4	C5	H6	H7
H1		0.9441	2.1193	1.5109	2.6920	2.5829	3.7731
O2	0.9441		2.9769	0.9392	3.3294	2.9241	4.4184
O3	2.1193	2.9769		3.6237	1.1805	1.9844	1.9828
H4	1.5109	0.9392	3.6237		4.1551	3.8438	5.2453
C5	2.6920	3.3294	1.1805	4.1551		1.0905	1.0912
H6	2.5829	2.9241	1.9844	3.8438	1.0905		1.8573
H7	3.7731	4.4184	1.9828	5.2453	1.0912	1.8573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.694	H1	O3	C5	105.794
O2	H1	O3	150.389	O3	C5	H6	121.758
O3	C5	H7	121.532	H6	C5	H7	116.711

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

using model chemistry: HF/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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Number	Element	Mulliken
1	H	0.221
2	O	-0.338
3	O	-0.625
4	H	0.117
5	C	0.513
6	H	0.070
7	H	0.043

	x	y	z	Total
	-1.406	0.672	0.006	1.558
CHELPG
AIM
ESP

	x	y	z
x	3.954	-0.323	0.000
y	-0.323	3.749	0.000
z	0.000	0.000	2.651

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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