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	hartrees
Energy at 0K	-191.555294
Energy at 298.15K	-191.560999
HF Energy	-191.052030
Counterpoise corrected energy	-191.551356
CP Energy at 298.15K	-191.556774
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	80.596892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3877	3656	88.62
2	A	3778	3562	39.32
3	A	3691	3480	221.28
4	A	3236	3051	20.80
5	A	3188	3006	34.45
6	A	3103	2926	37.01
7	A	1768	1667	71.08
8	A	1573	1483	4.19
9	A	1565	1476	3.82
10	A	1533	1446	4.09
11	A	1411	1331	31.94
12	A	1206	1137	0.29
13	A	1104	1042	11.79
14	A	1068	1007	118.93
15	A	659	621	170.18
16	A	497	468	23.75
17	A	293	276	234.79
18	A	202	191	4.97
19	A	132	124	131.91
20	A	96	91	17.27
21	A	73	69	40.27

Atom	x (Å)	y (Å)	z (Å)
H1	-1.108	0.340	0.154
O2	-1.928	-0.115	-0.121
O3	0.774	0.753	0.140
H4	-2.347	-0.377	0.711
H5	0.747	1.163	-0.742
C6	1.282	-0.577	-0.025
H7	2.261	-0.574	-0.516
H8	1.397	-0.983	0.980
H9	0.585	-1.205	-0.587

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9771	1.9268	1.5365	2.2184	2.5669	3.5546	2.9509	2.4087
O2	0.9771		2.8495	0.9682	3.0288	3.2445	4.2320	3.6078	2.7776
O3	1.9268	2.8495		3.3684	0.9722	1.4334	2.0976	2.0266	2.0964
H4	1.5365	0.9682	3.3684		3.7496	3.7092	4.7729	3.8025	3.3117
H5	2.2184	3.0288	0.9722	3.7496		1.9564	2.3147	2.8265	2.3779
C6	2.5669	3.2445	1.4334	3.7092	1.9564		1.0945	1.0896	1.0937
H7	3.5546	4.2320	2.0976	4.7729	2.3147	1.0945		1.7748	1.7925
H8	2.9509	3.6078	2.0266	3.8025	2.8265	1.0896	1.7748		1.7785
H9	2.4087	2.7776	2.0964	3.3117	2.3779	1.0937	1.7925	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.341	H1	O3	H5	94.036
H1	O3	C6	98.558	O2	H1	O3	156.465
O3	C6	H7	111.447	O3	C6	H8	106.075
O3	C6	H9	111.399	H5	O3	C6	107.272
H7	C6	H8	108.695	H7	C6	H9	109.997
H8	C6	H9	109.096

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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