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	hartrees
Energy at 0K	-214.771582
Energy at 298.15K
HF Energy	-214.771582
Nuclear repulsion energy	79.272986

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	3824	3678	43.39	74.35	0.29	0.45
2	A	3128	3008	47.15	79.89	0.47	0.64
3	A	3025	2910	78.25	112.79	0.15	0.25
4	A	1509	1451	5.18	8.54	0.72	0.84
5	A	1447	1392	51.91	5.26	0.75	0.85
6	A	1402	1349	11.75	5.06	0.75	0.86
7	A	1259	1211	4.21	7.88	0.71	0.83
8	A	1184	1139	167.85	2.71	0.33	0.50
9	A	1078	1037	125.16	2.46	0.35	0.52
10	A	1038	998	86.98	2.49	0.69	0.81
11	A	554	533	35.58	1.87	0.64	0.78
12	A	395	380	112.48	4.68	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.505	0.048
F2	1.129	-0.309	-0.028
O3	-1.140	-0.215	-0.117
H4	0.069	1.022	1.025
H5	0.062	1.231	-0.778
H6	-1.249	-0.788	0.653

	C1	F2	O3	H4	H5	H6
C1		1.3827	1.3707	1.1065	1.1004	1.9061
F2	1.3827		2.2730	2.0003	2.0178	2.5192
O3	1.3707	2.2730		2.0734	1.9936	0.9664
H4	1.1065	2.0003	2.0734		1.8147	2.2697
H5	1.1004	2.0178	1.9936	1.8147		2.8006
H6	1.9061	2.5192	0.9664	2.2697	2.8006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.045	F2	C1	O3	111.283
F2	C1	H4	106.423	F2	C1	H5	108.165
O3	C1	H4	113.220	O3	C1	H5	107.057
H4	C1	H5	110.624

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: HSEh1PBE/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	0.279
2	F	-0.256
3	O	-0.246
4	H	0.024
5	H	0.046
6	H	0.153

	x	y	z	Total
	-0.746	0.616	1.405	1.706
CHELPG
AIM
ESP

	x	y	z
x	2.421	0.218	-0.046
y	0.218	2.374	-0.166
z	-0.046	-0.166	2.285

<r²>	42.116
(<r²>)^1/2	6.490

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)