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	hartrees
Energy at 0K	-191.736452
Energy at 298.15K	-191.742050
HF Energy	-191.149721
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	80.180354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3939	3734	81.25
2	A	3881	3679	41.85
3	A	3726	3532	313.27
4	A	3221	3054	15.33
5	A	3164	2999	39.79
6	A	3084	2924	44.58
7	A	1652	1566	41.36
8	A	1536	1456	3.83
9	A	1524	1445	6.89
10	A	1519	1440	2.91
11	A	1386	1313	22.01
12	A	1207	1144	0.65
13	A	1099	1042	20.50
14	A	1063	1007	115.49
15	A	667	632	149.77
16	A	404	383	72.28
17	A	311	295	145.98
18	A	196	185	5.18
19	A	126	119	132.77
20	A	76	72	7.86
21	A	63	60	27.94

Atom	x (Å)	y (Å)	z (Å)
H1	1.212	0.196	0.028
O2	2.095	-0.187	0.108
O3	-0.709	0.688	-0.100
H4	2.533	0.055	-0.710
H5	-1.008	1.298	0.580
C6	-1.473	-0.508	0.001
H7	-2.533	-0.331	-0.194
H8	-1.091	-1.188	-0.754
H9	-1.365	-0.984	0.978

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9656	1.9869	1.5190	2.5394	2.7761	3.7882	2.7981	2.9897
O2	0.9656		2.9443	0.9590	3.4721	3.5840	4.6397	3.4486	3.6556
O3	1.9869	2.9443		3.3583	0.9610	1.4233	2.0915	2.0234	2.0951
H4	1.5190	0.9590	3.3583		3.9679	4.1071	5.1061	3.8307	4.3729
H5	2.5394	3.4721	0.9610	3.9679		1.9526	2.3613	2.8226	2.3438
C6	2.7761	3.5840	1.4233	4.1071	1.9526		1.0921	1.0862	1.0920
H7	3.7882	4.6397	2.0915	5.1061	2.3613	1.0921		1.7689	1.7789
H8	2.7981	3.4486	2.0234	3.8307	2.8226	1.0862	1.7689		1.7661
H9	2.9897	3.6556	2.0951	4.3729	2.3438	1.0920	1.7789	1.7661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.228	H1	O3	H5	114.394
H1	O3	C6	107.847	O2	H1	O3	170.875
O3	C6	H7	111.832	O3	C6	H8	106.707
O3	C6	H9	112.137	H5	O3	C6	108.400
H7	C6	H8	108.602	H7	C6	H9	109.077
H8	C6	H9	108.349

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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