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	hartrees
Energy at 0K	-115.769708
Energy at 298.15K	-115.773819
HF Energy	-115.769708
Nuclear repulsion energy	40.241794

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'	3819	3819	23.97	72.11	0.22	0.36
2	A'	3109	3109	28.16	65.18	0.50	0.66
3	A'	2988	2988	65.61	153.43	0.03	0.06
4	A'	1520	1520	4.47	6.11	0.74	0.85
5	A'	1482	1482	4.08	0.91	0.22	0.35
6	A'	1370	1370	22.10	1.30	0.59	0.75
7	A'	1074	1074	0.43	5.84	0.25	0.40
8	A'	1039	1039	120.40	2.28	0.22	0.36
9	A"	3036	3036	60.86	70.10	0.75	0.86
10	A"	1509	1509	2.31	5.75	0.75	0.86
11	A"	1172	1172	0.51	1.50	0.75	0.86
12	A"	296	296	105.99	0.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.666	0.000
O2	-0.047	-0.757	0.000
H3	-1.091	0.975	0.000
H4	0.439	1.075	0.893
H5	0.439	1.075	-0.893
H6	0.866	-1.063	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4234	1.0891	1.0956	1.0956	1.9555
O2	1.4234		2.0225	2.0954	2.0954	0.9624
H3	1.0891	2.0225		1.7746	1.7746	2.8255
H4	1.0956	2.0954	1.7746		1.7856	2.3563
H5	1.0956	2.0954	1.7746	1.7856		2.3563
H6	1.9555	0.9624	2.8255	2.3563	2.3563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.555	O2	C1	H3	106.457
O2	C1	H4	111.915	O2	C1	H5	111.915
H3	C1	H4	108.640	H3	C1	H5	108.640
H4	C1	H5	109.147

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

using model chemistry: TPSSh/6-311+G(3df,2p)

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	0.153
2	O	-0.560
3	H	0.071
4	H	0.075
5	H	0.075
6	H	0.186

	x	y	z	Total
	1.353	0.965	0.000	1.662
CHELPG
AIM
ESP

	x	y	z
x	2.945	-0.091	0.000
y	-0.091	3.387	0.000
z	0.000	0.000	2.872

<r²>	23.738
(<r²>)^1/2	4.872

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

using model chemistry: TPSSh/6-311+G(3df,2p)

States and conformations

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