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	hartrees
Energy at 0K	-214.745114
Energy at 298.15K
HF Energy	-214.745114
Nuclear repulsion energy	78.344644

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	3646	3625	24.43	86.34	0.29	0.45
2	A	3015	2998	49.95	88.88	0.45	0.62
3	A	2912	2895	83.76	118.85	0.16	0.27
4	A	1448	1440	4.84	9.51	0.71	0.83
5	A	1390	1382	46.86	6.78	0.75	0.86
6	A	1355	1347	6.23	5.32	0.74	0.85
7	A	1206	1199	3.79	9.24	0.70	0.83
8	A	1121	1115	140.91	2.79	0.30	0.46
9	A	1028	1022	93.37	2.41	0.38	0.55
10	A	977	971	120.74	2.90	0.62	0.77
11	A	530	527	34.17	2.14	0.63	0.77
12	A	396	394	99.39	5.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.010	0.509	0.048
F2	1.146	-0.309	-0.028
O3	-1.154	-0.220	-0.120
H4	0.068	1.033	1.033
H5	0.053	1.239	-0.788
H6	-1.261	-0.784	0.673

	C1	F2	O3	H4	H5	H6
C1		1.4017	1.3843	1.1170	1.1105	1.9182
F2	1.4017		2.3041	2.0220	2.0415	2.5520
O3	1.3843	2.3041		2.0960	2.0076	0.9788
H4	1.1170	2.0220	2.0960		1.8326	2.2802
H5	1.1105	2.0415	2.0076	1.8326		2.8199
H6	1.9182	2.5520	0.9788	2.2802	2.8199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.290	F2	C1	O3	111.583
F2	C1	H4	106.244	F2	C1	H5	108.151
O3	C1	H4	113.425	O3	C1	H5	106.654
H4	C1	H5	110.720

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: PBEPBEultrafine/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	0.236
2	F	-0.226
3	O	-0.209
4	H	0.016
5	H	0.037
6	H	0.146

	x	y	z	Total
	-0.771	0.532	1.356	1.648
CHELPG
AIM
ESP

	x	y	z
x	2.601	0.247	-0.057
y	0.247	2.503	-0.182
z	-0.057	-0.182	2.404

<r²>	42.935
(<r²>)^1/2	6.552

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)