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	hartrees
Energy at 0K	-214.826811
Energy at 298.15K
HF Energy	-214.826811
Nuclear repulsion energy	78.467194

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	3695	3670	30.44	78.82	0.26	0.41
2	A	3028	3007	38.04	75.28	0.46	0.63
3	A	2939	2918	66.04	116.58	0.12	0.22
4	A	1471	1461	1.62	5.69	0.70	0.83
5	A	1392	1382	29.00	4.19	0.75	0.86
6	A	1361	1352	11.61	3.40	0.71	0.83
7	A	1219	1211	5.56	5.66	0.68	0.81
8	A	1104	1097	111.24	3.41	0.21	0.35
9	A	1029	1022	100.30	1.24	0.41	0.59
10	A	960	953	154.14	2.85	0.60	0.75
11	A	523	520	26.94	1.87	0.59	0.74
12	A	394	391	102.80	3.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.011	0.510	0.047
F2	1.147	-0.309	-0.025
O3	-1.152	-0.221	-0.122
H4	0.063	1.021	1.024
H5	0.064	1.226	-0.785
H6	-1.298	-0.752	0.679

	C1	F2	O3	H4	H5	H6
C1		1.4025	1.3842	1.1038	1.0986	1.9257
F2	1.4025		2.3022	2.0110	2.0269	2.5825
O3	1.3842	2.3022		2.0814	2.0033	0.9719
H4	1.1038	2.0110	2.0814		1.8206	2.2620
H5	1.0986	2.0269	2.0033	1.8206		2.8131
H6	1.9257	2.5825	0.9719	2.2620	2.8131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.366	F2	C1	O3	111.406
F2	C1	H4	106.100	F2	C1	H5	107.649
O3	C1	H4	113.077	O3	C1	H5	107.022
H4	C1	H5	111.513

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: PBEPBE/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	0.200
2	F	-0.215
3	O	-0.268
4	H	0.023
5	H	0.059
6	H	0.202

	x	y	z	Total
	-0.827	0.687	1.406	1.769
CHELPG
AIM
ESP

	x	y	z
x	3.101	0.197	-0.057
y	0.197	2.888	-0.122
z	-0.057	-0.122	2.758

<r²>	43.097
(<r²>)^1/2	6.565

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)