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	hartrees
Energy at 0K	-115.769480
Energy at 298.15K	-115.773608
HF Energy	-115.769480
Nuclear repulsion energy	40.241276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3799	3679	19.46	74.18	0.26	0.41
2	A'	3103	3005	32.41	72.08	0.50	0.66
3	A'	2980	2886	65.03	157.70	0.04	0.08
4	A'	1520	1472	3.22	9.98	0.73	0.84
5	A'	1483	1436	5.15	3.25	0.40	0.57
6	A'	1379	1335	23.98	1.96	0.75	0.85
7	A'	1079	1045	0.31	5.90	0.38	0.55
8	A'	1041	1008	119.19	1.27	0.48	0.65
9	A"	3026	2930	72.69	71.72	0.75	0.86
10	A"	1506	1458	1.43	10.43	0.75	0.86
11	A"	1169	1132	0.67	3.88	0.75	0.86
12	A"	307	297	107.02	2.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.664	0.000
O2	-0.047	-0.758	0.000
H3	-1.092	0.974	0.000
H4	0.438	1.080	0.892
H5	0.438	1.080	-0.892
H6	0.869	-1.056	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4225	1.0899	1.0968	1.0968	1.9487
O2	1.4225		2.0230	2.0994	2.0994	0.9630
H3	1.0899	2.0230		1.7736	1.7736	2.8223
H4	1.0968	2.0994	1.7736		1.7844	2.3541
H5	1.0968	2.0994	1.7736	1.7844		2.3541
H6	1.9487	0.9630	2.8223	2.3541	2.3541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.005	O2	C1	H3	106.514
O2	C1	H4	112.241	O2	C1	H5	112.241
H3	C1	H4	108.406	H3	C1	H5	108.406
H4	C1	H5	108.877

All results from a given calculation for CH₃OH (Methyl alcohol)

using model chemistry: TPSSh/cc-pVTZ

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	C	-0.025
2	O	-0.350
3	H	0.085
4	H	0.043
5	H	0.043
6	H	0.204

	x	y	z	Total
	1.332	0.869	0.000	1.590
CHELPG
AIM
ESP

	x	y	z
x	2.804	-0.124	0.000
y	-0.124	3.054	0.000
z	0.000	0.000	2.560

<r²>	23.616
(<r²>)^1/2	4.860

All results from a given calculation for CH3OH (Methyl alcohol)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for CH₃OH (Methyl alcohol)