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	hartrees
Energy at 0K	-190.800427
Energy at 298.15K	-190.803187
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3804	3766	77.22
2	A	3581	3545	300.34
3	A	2902	2873	72.53
4	A	2831	2803	72.37
5	A	1749	1732	90.09
6	A	1609	1593	75.40
7	A	1479	1464	17.97
8	A	1230	1218	6.62
9	A	1161	1149	6.85
10	A	519	514	80.05
11	A	364	361	110.09
12	A	179	178	31.30
13	A	167	166	0.04
14	A	77	76	37.41
15	A	43	42	132.47

Atom	x (Å)	y (Å)	z (Å)
H1	1.056	-0.383	-0.010
O2	1.850	0.188	-0.023
O3	-0.895	-0.673	-0.005
H4	2.589	-0.411	0.154
C5	-1.354	0.450	0.009
H6	-0.699	1.349	0.031
H7	-2.455	0.625	-0.001

	H1	O2	O3	H4	C5	H6	H7
H1		0.9781	1.9723	1.5420	2.5499	2.4654	3.6521
O2	0.9781		2.8769	0.9676	3.2151	2.8010	4.3268
O3	1.9723	2.8769		3.4973	1.2128	2.0316	2.0288
H4	1.5420	0.9676	3.4973		4.0386	3.7310	5.1511
C5	2.5499	3.2151	1.2128	4.0386		1.1133	1.1142
H6	2.4654	2.8010	2.0316	3.7310	1.1133		1.8998
H7	3.6521	4.3268	2.0288	5.1511	1.1142	1.8998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.843	H1	O3	C5	103.795
O2	H1	O3	152.752	O3	C5	H6	121.655
O3	C5	H7	121.285	H6	C5	H7	117.060

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

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

States and conformations

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