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	hartrees
Energy at 0K	-191.637839
Energy at 298.15K	-191.643437
HF Energy	-191.089490
Counterpoise corrected energy	-191.635212
CP Energy at 298.15K	-191.640559
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	79.316325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3971	3735	120.90
2	A	3891	3660	48.00
3	A	3742	3520	357.75
4	A	3263	3069	15.15
5	A	3209	3019	34.93
6	A	3121	2935	48.82
7	A	1658	1559	62.87
8	A	1560	1467	4.66
9	A	1550	1458	3.39
10	A	1522	1432	6.71
11	A	1381	1299	26.70
12	A	1202	1130	0.65
13	A	1091	1026	21.76
14	A	1061	998	127.43
15	A	692	650	125.49
16	A	409	385	70.25
17	A	318	299	179.33
18	A	200	188	3.21
19	A	130	122	149.54
20	A	75	71	16.22
21	A	51	48	17.38

Atom	x (Å)	y (Å)	z (Å)
H1	1.173	0.163	-0.012
O2	2.063	-0.212	0.101
O3	-0.651	0.669	-0.094
H4	2.585	0.134	-0.630
H5	-0.923	1.310	0.574
C6	-1.502	-0.485	-0.001
H7	-2.540	-0.221	-0.204
H8	-1.153	-1.177	-0.760
H9	-1.423	-0.958	0.977

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9719	1.8949	1.5411	2.4604	2.7529	3.7381	2.7868	2.9958
O2	0.9719		2.8598	0.9625	3.3846	3.5771	4.6131	3.4661	3.6708
O3	1.8949	2.8598		3.3232	0.9653	1.4364	2.0907	2.0252	2.0949
H4	1.5411	0.9625	3.3232		3.8908	4.1810	5.1546	3.9625	4.4536
H5	2.4604	3.3846	0.9653	3.8908		1.9717	2.3586	2.8316	2.3570
C6	2.7529	3.5771	1.4364	4.1810	1.9717		1.0899	1.0850	1.0899
H7	3.7381	4.6131	2.0907	5.1546	2.3586	1.0899		1.7745	1.7852
H8	2.7868	3.4661	2.0252	3.9625	2.8316	1.0850	1.7745		1.7720
H9	2.9958	3.6708	2.0949	4.4536	2.3570	1.0899	1.7852	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.631	H1	O3	H5	114.743
H1	O3	C6	110.706	O2	H1	O3	171.552
O3	C6	H7	110.962	O3	C6	H8	106.031
O3	C6	H9	111.299	H5	O3	C6	108.779
H7	C6	H8	109.355	H7	C6	H9	109.964
H8	C6	H9	109.128

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

using model chemistry: MP2/6-31+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	0.453
2	O	-0.804
3	O	-0.664
4	H	0.357
5	H	0.372
6	C	-0.099
7	H	0.118
8	H	0.143
9	H	0.124

	x	y	z	Total
	-2.872	1.049	-0.324	3.074
CHELPG
AIM
ESP

	x	y	z
x	4.189	0.072	-0.081
y	0.072	3.662	0.068
z	-0.081	0.068	3.431

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: MP2/6-31+G**

States and conformations

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