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	hartrees
Energy at 0K	-214.973721
Energy at 298.15K
HF Energy	-214.973721
Nuclear repulsion energy	78.844291

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	3760	3647	33.86	79.11	0.30	0.46
2	A	3098	3005	49.19	82.50	0.45	0.62
3	A	2998	2908	80.37	112.48	0.15	0.27
4	A	1503	1458	5.14	8.85	0.72	0.84
5	A	1442	1399	48.64	5.63	0.75	0.86
6	A	1395	1353	12.73	5.32	0.75	0.86
7	A	1250	1213	6.05	8.14	0.71	0.83
8	A	1151	1116	151.84	3.03	0.31	0.47
9	A	1065	1033	96.73	2.15	0.41	0.58
10	A	1013	982	122.77	3.01	0.61	0.76
11	A	544	527	34.74	1.96	0.63	0.78
12	A	392	381	108.95	5.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.013	0.509	0.048
F2	1.136	-0.310	-0.028
O3	-1.147	-0.216	-0.117
H4	0.070	1.025	1.027
H5	0.061	1.234	-0.780
H6	-1.256	-0.795	0.654

	C1	F2	O3	H4	H5	H6
C1		1.3921	1.3786	1.1074	1.1013	1.9171
F2	1.3921		2.2874	2.0078	2.0260	2.5338
O3	1.3786	2.2874		2.0810	2.0001	0.9699
H4	1.1074	2.0078	2.0810		1.8182	2.2817
H5	1.1013	2.0260	2.0001	1.8182		2.8107
H6	1.9171	2.5338	0.9699	2.2817	2.8107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.175	F2	C1	O3	111.294
F2	C1	H4	106.333	F2	C1	H5	108.120
O3	C1	H4	113.226	O3	C1	H5	106.985
H4	C1	H5	110.817

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B3LYPultrafine/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	0.308
2	F	-0.254
3	O	-0.234
4	H	0.006
5	H	0.027
6	H	0.147

	x	y	z	Total
	-0.755	0.615	1.388	1.695
CHELPG
AIM
ESP

	x	y	z
x	2.463	0.228	-0.052
y	0.228	2.405	-0.177
z	-0.052	-0.177	2.304

<r²>	42.510
(<r²>)^1/2	6.520

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)