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	hartrees
Energy at 0K	-191.659809
Energy at 298.15K	-191.665487
Counterpoise corrected energy	-191.659809
CP Energy at 298.15K	-191.665487
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	80.710646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3941	3770	71.17
2	A	3878	3710	37.53
3	A	3823	3657	141.67
4	A	3169	3032	28.27
5	A	3133	2998	42.46
6	A	3055	2922	41.22
7	A	1733	1658	47.43
8	A	1515	1450	3.84
9	A	1505	1440	3.58
10	A	1494	1430	4.86
11	A	1410	1349	32.10
12	A	1187	1136	1.04
13	A	1105	1057	15.16
14	A	1085	1038	91.73
15	A	601	575	156.78
16	A	471	451	37.84
17	A	272	261	186.12
18	A	189	181	2.79
19	A	144	138	103.81
20	A	110	105	12.46
21	A	74	71	29.08

Atom	x (Å)	y (Å)	z (Å)
H1	-1.136	0.395	0.105
O2	-1.948	-0.083	-0.118
O3	0.812	0.751	0.148
H4	-2.190	-0.480	0.727
H5	0.917	1.195	-0.703
C6	1.241	-0.596	-0.034
H7	2.280	-0.650	-0.412
H8	1.210	-1.077	0.957
H9	0.568	-1.153	-0.712

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9685	1.9806	1.5042	2.3466	2.5790	3.6093	2.8983	2.4433
O2	0.9685		2.8955	0.9637	3.1912	3.2310	4.2757	3.4813	2.7983
O3	1.9806	2.8955		3.2955	0.9652	1.4252	2.1049	2.0387	2.1032
H4	1.5042	0.9637	3.2955		3.8079	3.5162	4.6156	3.4602	3.1834
H5	2.3466	3.1912	0.9652	3.8079		1.9387	2.3120	2.8290	2.3732
C6	2.5790	3.2310	1.4252	3.5162	1.9387		1.1067	1.1022	1.1056
H7	3.6093	4.2757	2.1049	4.6156	2.3120	1.1067		1.7887	1.8087
H8	2.8983	3.4813	2.0387	3.4602	2.8290	1.1022	1.7887		1.7902
H9	2.4433	2.7983	2.1032	3.1834	2.3732	1.1056	1.8087	1.7902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	102.250	H1	O3	H5	99.820
H1	O3	C6	97.095	O2	H1	O3	156.687
O3	C6	H7	111.861	O3	C6	H8	106.836
O3	C6	H9	111.792	H5	O3	C6	106.812
H7	C6	H8	108.147	H7	C6	H9	109.682
H8	C6	H9	108.357

All results from a given calculation for H₂OCH₃OH (water methanol dimer)

using model chemistry: CCD/cc-pVDZ

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 H2OCH3OH (water methanol dimer)

using model chemistry: CCD/cc-pVDZ

States and conformations

All results from a given calculation for H₂OCH₃OH (water methanol dimer)