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	hartrees
Energy at 0K	-190.735243
Energy at 298.15K	-190.738050
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3809	3765	86.70
2	A	3577	3536	278.45
3	A	2939	2906	77.28
4	A	2861	2828	64.73
5	A	1747	1727	92.84
6	A	1590	1572	98.68
7	A	1485	1468	14.81
8	A	1228	1214	4.92
9	A	1155	1142	7.80
10	A	519	513	119.78
11	A	365	361	143.77
12	A	184	182	33.32
13	A	171	169	0.11
14	A	77	76	47.24
15	A	62	61	174.06

Atom	x (Å)	y (Å)	z (Å)
H1	1.059	-0.401	-0.008
O2	1.845	0.188	-0.015
O3	-0.900	-0.680	-0.003
H4	2.611	-0.398	0.099
C5	-1.349	0.458	0.005
H6	-0.680	1.350	0.021
H7	-2.450	0.644	-0.002

	H1	O2	O3	H4	C5	H6	H7
H1		0.9818	1.9790	1.5563	2.5567	2.4677	3.6609
O2	0.9818		2.8790	0.9714	3.2055	2.7798	4.3187
O3	1.9790	2.8790		3.5245	1.2235	2.0420	2.0383
H4	1.5563	0.9714	3.5245		4.0533	3.7277	5.1683
C5	2.5567	3.2055	1.2235	4.0533		1.1151	1.1161
H6	2.4677	2.7798	2.0420	3.7277	1.1151		1.9052
H7	3.6609	4.3187	2.0383	5.1683	1.1161	1.9052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.644	H1	O3	C5	103.415
O2	H1	O3	151.292	O3	C5	H6	121.591
O3	C5	H7	121.135	H6	C5	H7	117.274

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

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

States and conformations

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