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	hartrees
Energy at 0K	-213.993364
Energy at 298.15K
HF Energy	-213.993364
Nuclear repulsion energy	80.383198

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	4144	3765	74.47	60.22	0.28	0.43
2	A	3303	3001	45.89	62.40	0.46	0.63
3	A	3211	2917	75.94	101.65	0.13	0.24
4	A	1674	1521	5.58	5.89	0.75	0.86
5	A	1602	1456	57.24	4.40	0.75	0.86
6	A	1506	1369	26.11	5.71	0.74	0.85
7	A	1387	1261	14.64	5.36	0.74	0.85
8	A	1248	1134	183.75	4.54	0.31	0.47
9	A	1179	1071	152.16	1.84	0.43	0.60
10	A	1125	1022	126.97	3.16	0.56	0.72
11	A	599	544	41.46	1.47	0.59	0.74
12	A	398	362	148.84	2.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.507	0.047
F2	1.107	-0.312	-0.027
O3	-1.127	-0.206	-0.112
H4	0.075	1.001	1.010
H5	0.084	1.217	-0.761
H6	-1.249	-0.802	0.609

	C1	F2	O3	H4	H5	H6
C1		1.3602	1.3622	1.0834	1.0779	1.9093
F2	1.3602		2.2380	1.9658	1.9807	2.4889
O3	1.3622	2.2380		2.0395	1.9783	0.9433
H4	1.0834	1.9658	2.0395		1.7838	2.2722
H5	1.0779	1.9807	1.9783	1.7838		2.7804
H6	1.9093	2.4889	0.9433	2.2722	2.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	110.502	F2	C1	O3	110.581
F2	C1	H4	106.571	F2	C1	H5	108.104
O3	C1	H4	112.511	O3	C1	H5	107.764
H4	C1	H5	111.246

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: HF/TZVP

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	0.313
2	F	-0.299
3	O	-0.425
4	H	0.053
5	H	0.072
6	H	0.286

	x	y	z	Total
	-0.666	0.884	1.591	1.938
CHELPG
AIM
ESP

	x	y	z
x	2.432	0.137	-0.038
y	0.137	2.413	-0.106
z	-0.038	-0.106	2.308

<r²>	41.519
(<r²>)^1/2	6.444

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)