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	hartrees
Energy at 0K	-191.846791
Energy at 298.15K	-191.852337
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	80.648465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3936	3738	87.98
2	A	3880	3684	48.07
3	A	3743	3554	268.39
4	A	3202	3040	11.26
5	A	3149	2990	35.46
6	A	3071	2916	44.68
7	A	1678	1593	45.96
8	A	1534	1457	4.03
9	A	1523	1446	3.26
10	A	1495	1419	2.70
11	A	1378	1309	23.49
12	A	1191	1131	0.44
13	A	1094	1038	2.67
14	A	1063	1009	123.04
15	A	645	612	139.86
16	A	348	330	81.05
17	A	285	270	91.10
18	A	196	186	7.00
19	A	154	146	108.74
20	A	87	83	9.20
21	A	54	51	16.90

Atom	x (Å)	y (Å)	z (Å)
H1	1.135	0.315	0.095
O2	1.974	-0.166	0.108
O3	-0.714	0.721	-0.084
H4	2.359	0.033	-0.747
H5	-1.222	1.329	0.458
C6	-1.326	-0.565	-0.003
H7	-2.294	-0.579	-0.504
H8	-0.655	-1.255	-0.504
H9	-1.447	-0.892	1.029

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9671	1.9019	1.5120	2.5918	2.6155	3.5934	2.4549	2.9990
O2	0.9671		2.8374	0.9586	3.5461	3.3259	4.3309	2.9105	3.6162
O3	1.9019	2.8374		3.2180	0.9599	1.4271	2.0883	2.0210	2.0926
H4	1.5120	0.9586	3.2180		3.9945	3.8065	4.6988	3.2865	4.3003
H5	2.5918	3.5461	0.9599	3.9945		1.9521	2.3897	2.8144	2.3036
C6	2.6155	3.3259	1.4271	3.8065	1.9521		1.0895	1.0845	1.0894
H7	3.5934	4.3309	2.0883	4.6988	2.3897	1.0895		1.7725	1.7787
H8	2.4549	2.9105	2.0210	3.2865	2.8144	1.0845	1.7725		1.7631
H9	2.9990	3.6162	2.0926	4.3003	2.3036	1.0894	1.7787	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.470	H1	O3	H5	126.642
H1	O3	C6	102.631	O2	H1	O3	161.999
O3	C6	H7	111.459	O3	C6	H8	106.360
O3	C6	H9	111.820	H5	O3	C6	108.131
H7	C6	H8	109.240	H7	C6	H9	109.448
H8	C6	H9	108.399

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

using model chemistry: MP2/cc-pVTZ

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: MP2/cc-pVTZ

States and conformations

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