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	hartrees
Energy at 0K	-214.832739
Energy at 298.15K
HF Energy	-214.650908
Nuclear repulsion energy	78.540303

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	3817	3817	49.65	74.98	0.17	0.30
2	A	3178	3178	24.70	59.30	0.52	0.69
3	A	3081	3081	51.09	117.53	0.09	0.16
4	A	1515	1515	2.00	3.66	0.75	0.86
5	A	1429	1429	30.79	1.81	0.68	0.81
6	A	1391	1391	11.58	2.28	0.45	0.62
7	A	1253	1253	7.18	3.24	0.56	0.72
8	A	1137	1137	137.94	5.70	0.11	0.20
9	A	1064	1064	81.61	0.78	0.18	0.30
10	A	970	970	176.08	5.06	0.36	0.53
11	A	530	530	28.31	1.26	0.45	0.62
12	A	384	384	110.12	1.73	0.71	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.009	0.517	0.047
F2	1.144	-0.311	-0.025
O3	-1.149	-0.221	-0.120
H4	0.065	1.015	1.025
H5	0.069	1.225	-0.784
H6	-1.289	-0.770	0.662

	C1	F2	O3	H4	H5	H6
C1		1.4070	1.3830	1.0983	1.0938	1.9282
F2	1.4070		2.2962	2.0059	2.0222	2.5696
O3	1.3830	2.2962		2.0765	2.0042	0.9655
H4	1.0983	2.0059	2.0765		1.8213	2.2694
H5	1.0938	2.0222	2.0042	1.8213		2.8137
H6	1.9282	2.5696	0.9655	2.2694	2.8137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.090	F2	C1	O3	110.777
F2	C1	H4	105.730	F2	C1	H5	107.261
O3	C1	H4	113.124	O3	C1	H5	107.459
H4	C1	H5	112.369

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B2PLYP/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	1.879
2	F	-0.739
3	O	-0.747
4	H	-0.344
5	H	-0.327
6	H	0.278

	x	y	z	Total
	-0.849	0.919	1.457	1.921
CHELPG
AIM
ESP

	x	y	z
x	3.566	0.108	-0.035
y	0.108	3.275	-0.050
z	-0.035	-0.050	3.075

<r²>	43.271
(<r²>)^1/2	6.578

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B2PLYP/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)