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	hartrees
Energy at 0K	-191.646955
Energy at 298.15K	-191.652349
HF Energy	-191.104365
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	79.737794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3859	3667	2.53
2	A'	3770	3583	346.61
3	A'	3174	3017	51.09
4	A'	3032	2881	72.01
5	A'	1739	1652	102.60
6	A'	1561	1483	2.76
7	A'	1529	1453	10.19
8	A'	1501	1426	50.97
9	A'	1151	1094	25.68
10	A'	1116	1060	86.11
11	A'	261	248	272.07
12	A'	220	209	43.41
13	A'	76	73	46.43
14	A"	3993	3794	59.73
15	A"	3090	2936	89.71
16	A"	1541	1464	1.91
17	A"	1203	1143	0.92
18	A"	795	756	183.30
19	A"	217	206	0.08
20	A"	101	96	52.03
21	A"	77	73	18.45

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.418	0.000
O2	-0.960	0.390	0.000
O3	1.968	0.527	0.000
C4	-1.357	-0.962	0.000
H5	2.271	1.004	0.773
H6	2.271	1.004	-0.773
H7	-2.447	-0.980	0.000
H8	-1.006	-1.506	-0.887
H9	-1.006	-1.506	0.887

	H1	O2	O3	C4	H5	H6	H7	H8	H9
H1		0.9609	1.9708	1.9356	2.4694	2.4694	2.8184	2.3461	2.3461
O2	0.9609		2.9314	1.4090	3.3789	3.3789	2.0216	2.0942	2.0942
O3	1.9708	2.9314		3.6429	0.9573	0.9573	4.6650	3.7103	3.7103
C4	1.9356	1.4090	3.6429		4.1982	4.1982	1.0904	1.0984	1.0984
H5	2.4694	3.3789	0.9573	4.1982		1.5452	5.1764	4.4495	4.1299
H6	2.4694	3.3789	0.9573	4.1982	1.5452		5.1764	4.1299	4.4495
H7	2.8184	2.0216	4.6650	1.0904	5.1764	5.1764		1.7723	1.7723
H8	2.3461	2.0942	3.7103	1.0984	4.4495	4.1299	1.7723		1.7745
H9	2.3461	2.0942	3.7103	1.0984	4.1299	4.4495	1.7723	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	C4	108.028	H1	O3	H5	110.117
H1	O3	H6	110.117	O2	H1	O3	178.523
O2	C4	H7	107.276	O2	C4	H8	112.689
O2	C4	H9	112.689	H5	O3	H6	107.623
H7	C4	H8	108.129	H7	C4	H9	108.129
H8	C4	H9	107.752

All results from a given calculation for CH₃OHH₂O (methanol water dimer)

using model chemistry: MP2/6-311G*

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 CH3OHH2O (methanol water dimer)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for CH₃OHH₂O (methanol water dimer)