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	hartrees
Energy at 0K	-214.939802
Energy at 298.15K
HF Energy	-214.939802
Nuclear repulsion energy	78.969238

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	3891	3891	54.23	68.11	0.18	0.31
2	A	3156	3156	27.74	58.65	0.50	0.67
3	A	3058	3058	55.44	115.11	0.09	0.16
4	A	1512	1512	2.50	3.49	0.74	0.85
5	A	1430	1430	34.81	1.76	0.69	0.82
6	A	1393	1393	11.77	2.16	0.46	0.63
7	A	1258	1258	5.96	3.29	0.56	0.72
8	A	1168	1168	154.46	4.42	0.12	0.21
9	A	1071	1071	80.52	1.00	0.16	0.28
10	A	996	996	169.33	4.26	0.39	0.56
11	A	540	540	27.54	1.14	0.47	0.64
12	A	387	387	113.46	1.52	0.73	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.010	0.512	0.047
F2	1.136	-0.311	-0.025
O3	-1.141	-0.219	-0.120
H4	0.066	1.014	1.024
H5	0.072	1.225	-0.783
H6	-1.290	-0.764	0.659

	C1	F2	O3	H4	H5	H6
C1		1.3961	1.3746	1.1002	1.0953	1.9219
F2	1.3961		2.2808	2.0004	2.0157	2.5603
O3	1.3746	2.2808		2.0706	1.9996	0.9616
H4	1.1002	2.0004	2.0706		1.8194	2.2653
H5	1.0953	2.0157	1.9996	1.8194		2.8086
H6	1.9219	2.5603	0.9616	2.2653	2.8086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.426	F2	C1	O3	110.807
F2	C1	H4	105.908	F2	C1	H5	107.399
O3	C1	H4	113.110	O3	C1	H5	107.573
H4	C1	H5	111.929

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: wB97X-D/daug-cc-pVDZ

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	1.613
2	F	-0.689
3	O	-0.724
4	H	-0.267
5	H	-0.242
6	H	0.309

	x	y	z	Total
	-0.834	0.881	1.462	1.900
CHELPG
AIM
ESP

	x	y	z
x	3.471	0.107	-0.033
y	0.107	3.224	-0.049
z	-0.033	-0.049	3.046

<r²>	42.731
(<r²>)^1/2	6.537

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: wB97X-D/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)