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	hartrees
Energy at 0K	-191.634114
Energy at 298.15K	-191.639100
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3864	3635	7.86
2	A'	3820	3593	313.32
3	A'	3235	3043	35.51
4	A'	3093	2909	69.99
5	A'	1632	1535	96.38
6	A'	1562	1469	2.94
7	A'	1521	1431	10.63
8	A'	1423	1338	30.10
9	A'	1122	1056	13.30
10	A'	1085	1021	109.20
11	A'	218	205	268.42
12	A'	143	134	23.99
13	A'	56	52	48.28
14	A"	4006	3768	87.77
15	A"	3166	2978	61.59
16	A"	1548	1456	1.34
17	A"	1200	1128	0.82
18	A"	643	605	173.87
19	A"	182	171	4.89
20	A"	84	79	40.46
21	A"	60	57	23.54

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.418	0.000
O2	-0.968	0.447	0.000
O3	2.048	0.423	0.000
C4	-1.457	-0.890	0.000
H5	2.458	0.835	0.769
H6	2.458	0.835	-0.769
H7	-2.542	-0.827	0.000
H8	-1.137	-1.440	-0.889
H9	-1.137	-1.440	0.889

	H1	O2	O3	C4	H5	H6	H7	H8	H9
H1		0.9689	2.0484	1.9576	2.6093	2.6093	2.8297	2.3523	2.3523
O2	0.9689		3.0169	1.4240	3.5332	3.5332	2.0244	2.0930	2.0930
O3	2.0484	3.0169		3.7428	0.9638	0.9638	4.7568	3.7956	3.7956
C4	1.9576	1.4240	3.7428		4.3467	4.3467	1.0867	1.0927	1.0927
H5	2.6093	3.5332	0.9638	4.3467		1.5374	5.3244	4.5661	4.2564
H6	2.6093	3.5332	0.9638	4.3467	1.5374		5.3244	4.2564	4.5661
H7	2.8297	2.0244	4.7568	1.0867	5.3244	5.3244		1.7714	1.7714
H8	2.3523	2.0930	3.7956	1.0927	4.5661	4.2564	1.7714		1.7773
H9	2.3523	2.0930	3.7956	1.0927	4.2564	4.5661	1.7714	1.7773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	C4	108.286	H1	O3	H5	115.239
H1	O3	H6	115.239	O2	H1	O3	178.092
O2	C4	H7	106.702	O2	C4	H8	111.861
O2	C4	H9	111.861	H5	O3	H6	105.800
H7	C4	H8	108.741	H7	C4	H9	108.741
H8	C4	H9	108.832

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

using model chemistry: MP2_cp_opt/6-31+G**

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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Number	Element	Mulliken
1	H	0.000
2	O	0.000
3	O	-0.735
4	C	0.000
5	H	0.368
6	H	0.368
7	H	0.000
8	H	0.000
9	H	0.000

	x	y	z	Total
	3.157	-0.042	0.000	3.157
CHELPG
AIM
ESP

	x	y	z
x	0.960	-0.000	0.000
y	-0.000	0.953	0.000
z	0.000	0.000	1.137

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: MP2_cp_opt/6-31+G**

States and conformations

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