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	hartrees
Energy at 0K	-214.824699
Energy at 298.15K
HF Energy	-214.824699
Nuclear repulsion energy	79.365798

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	3874	3720	43.91	68.04	0.30	0.46
2	A	3136	3011	42.29	70.42	0.46	0.63
3	A	3035	2915	74.27	104.52	0.14	0.25
4	A	1528	1468	3.68	7.02	0.74	0.85
5	A	1464	1406	40.45	5.69	0.75	0.86
6	A	1408	1352	14.96	5.31	0.75	0.85
7	A	1273	1223	5.87	7.04	0.71	0.83
8	A	1173	1127	158.31	2.89	0.27	0.42
9	A	1083	1040	109.56	1.78	0.43	0.60
10	A	1031	990	130.32	2.91	0.60	0.75
11	A	556	534	41.16	1.84	0.63	0.77
12	A	405	389	120.05	4.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.013	0.507	0.048
F2	1.129	-0.308	-0.027
O3	-1.140	-0.215	-0.117
H4	0.068	1.013	1.020
H5	0.065	1.223	-0.774
H6	-1.256	-0.786	0.646

	C1	F2	O3	H4	H5	H6
C1		1.3843	1.3703	1.0973	1.0911	1.9081
F2	1.3843		2.2726	1.9921	2.0092	2.5239
O3	1.3703	2.2726		2.0638	1.9875	0.9602
H4	1.0973	1.9921	2.0638		1.8063	2.2647
H5	1.0911	2.0092	1.9875	1.8063		2.7924
H6	1.9081	2.5239	0.9602	2.2647	2.7924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.641	F2	C1	O3	111.180
F2	C1	H4	106.208	F2	C1	H5	107.932
O3	C1	H4	113.046	O3	C1	H5	107.153
H4	C1	H5	111.253

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: HSEh1PBE/6-311G**

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	0.192
2	F	-0.278
3	O	-0.363
4	H	0.093
5	H	0.110
6	H	0.246

	x	y	z	Total
	-0.738	0.705	1.491	1.807
CHELPG
AIM
ESP

	x	y	z
x	2.528	0.197	-0.049
y	0.197	2.441	-0.149
z	-0.049	-0.149	2.336

<r²>	42.186
(<r²>)^1/2	6.495

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)