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	hartrees
Energy at 0K	-215.058744
Energy at 298.15K
HF Energy	-215.058744
Nuclear repulsion energy	78.800561

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	3774	3774	39.14	79.06	0.19	0.32
2	A	3122	3122	28.41	65.53	0.48	0.65
3	A	3031	3031	55.37	119.14	0.10	0.17
4	A	1531	1531	1.56	3.79	0.74	0.85
5	A	1433	1433	25.54	1.60	0.72	0.84
6	A	1393	1393	13.93	2.61	0.44	0.61
7	A	1255	1255	7.53	3.23	0.56	0.72
8	A	1123	1123	113.09	5.78	0.12	0.21
9	A	1054	1054	106.64	0.55	0.22	0.37
10	A	976	976	179.68	4.00	0.43	0.60
11	A	529	529	25.87	1.14	0.48	0.65
12	A	387	387	107.47	1.87	0.73	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.012	0.514	0.047
F2	1.139	-0.311	-0.024
O3	-1.146	-0.220	-0.121
H4	0.065	1.012	1.019
H5	0.071	1.218	-0.781
H6	-1.300	-0.754	0.668

	C1	F2	O3	H4	H5	H6
C1		1.3985	1.3813	1.0934	1.0886	1.9280
F2	1.3985		2.2889	1.9982	2.0129	2.5743
O3	1.3813	2.2889		2.0693	1.9966	0.9654
H4	1.0934	1.9982	2.0693		1.8118	2.2596
H5	1.0886	2.0129	1.9966	1.8118		2.8060
H6	1.9280	2.5743	0.9654	2.2596	2.8060

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.209	F2	C1	O3	110.855
F2	C1	H4	105.969	F2	C1	H5	107.405
O3	C1	H4	112.965	O3	C1	H5	107.286
H4	C1	H5	112.263

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: TPSSh/daug-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	0.840
2	F	-0.766
3	O	-0.812
4	H	0.263
5	H	0.275
6	H	0.200

	x	y	z	Total
	-0.833	0.866	1.438	1.874
CHELPG
AIM
ESP

	x	y	z
x	3.591	0.127	-0.040
y	0.127	3.300	-0.054
z	-0.040	-0.054	3.106

<r²>	42.913
(<r²>)^1/2	6.551

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: TPSSh/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)