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	hartrees
Energy at 0K	-191.854328
Energy at 298.15K	-191.859434
HF Energy	-191.163095
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	78.881330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3843	3657	7.73
2	A'	3765	3583	408.27
3	A'	3174	3020	34.86
4	A'	3047	2900	62.84
5	A'	1644	1564	65.61
6	A'	1537	1462	2.72
7	A'	1498	1425	5.05
8	A'	1444	1374	30.69
9	A'	1131	1077	4.98
10	A'	1091	1038	101.17
11	A'	242	230	200.02
12	A'	167	159	17.23
13	A'	67	64	31.50
14	A"	3962	3770	88.16
15	A"	3110	2959	58.16
16	A"	1519	1446	1.60
17	A"	1192	1134	0.72
18	A"	671	638	117.32
19	A"	179	171	0.47
20	A"	77	73	26.74
21	A"	73	69	32.63

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.402	0.000
O2	-0.962	0.384	0.000
O3	1.989	0.528	0.000
C4	-1.377	-0.963	0.000
H5	2.290	1.029	0.759
H6	2.290	1.029	-0.759
H7	-2.463	-0.969	0.000
H8	-1.035	-1.507	-0.884
H9	-1.035	-1.507	0.884

	H1	O2	O3	C4	H5	H6	H7	H8	H9
H1		0.9625	1.9934	1.9387	2.4929	2.4929	2.8192	2.3447	2.3447
O2	0.9625		2.9552	1.4097	3.4016	3.4016	2.0213	2.0894	2.0894
O3	1.9934	2.9552		3.6819	0.9578	0.9578	4.6978	3.7514	3.7514
C4	1.9387	1.4097	3.6819		4.2419	4.2419	1.0864	1.0929	1.0929
H5	2.4929	3.4016	0.9578	4.2419		1.5175	5.2122	4.4936	4.1844
H6	2.4929	3.4016	0.9578	4.2419	1.5175		5.2122	4.1844	4.4936
H7	2.8192	2.0213	4.6978	1.0864	5.2122	5.2122		1.7637	1.7637
H8	2.3447	2.0894	3.7514	1.0929	4.4936	4.1844	1.7637		1.7677
H9	2.3447	2.0894	3.7514	1.0929	4.1844	4.4936	1.7637	1.7677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	C4	108.142	H1	O3	H5	110.286
H1	O3	H6	110.286	O2	H1	O3	177.392
O2	C4	H7	107.439	O2	C4	H8	112.589
O2	C4	H9	112.589	H5	O3	H6	104.784
H7	C4	H8	108.054	H7	C4	H9	108.054
H8	C4	H9	107.936

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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