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	hartrees
Energy at 0K	-214.841248
Energy at 298.15K
HF Energy	-214.667160
Nuclear repulsion energy	79.116033

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	24.17	72.51	0.32	0.48
2	A	3179	3179	45.63	68.48	0.48	0.65
3	A	3070	3070	77.60	98.37	0.16	0.27
4	A	1564	1564	3.12	7.65	0.74	0.85
5	A	1494	1494	50.63	6.76	0.75	0.86
6	A	1429	1429	17.25	6.27	0.74	0.85
7	A	1292	1292	9.46	7.38	0.73	0.84
8	A	1158	1158	149.83	3.41	0.26	0.42
9	A	1097	1097	94.62	1.71	0.53	0.69
10	A	1020	1020	155.78	3.40	0.51	0.67
11	A	557	557	57.44	2.03	0.62	0.77
12	A	420	420	126.70	4.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.510	0.049
F2	1.134	-0.309	-0.028
O3	-1.145	-0.214	-0.116
H4	0.070	1.009	1.021
H5	0.062	1.221	-0.773
H6	-1.257	-0.803	0.637

	C1	F2	O3	H4	H5	H6
C1		1.3900	1.3764	1.0938	1.0873	1.9198
F2	1.3900		2.2829	1.9921	2.0113	2.5306
O3	1.3764	2.2829		2.0647	1.9868	0.9620
H4	1.0938	1.9921	2.0647		1.8058	2.2786
H5	1.0873	2.0113	1.9868	1.8058		2.7968
H6	1.9198	2.5306	0.9620	2.2786	2.7968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.085	F2	C1	O3	111.221
F2	C1	H4	106.036	F2	C1	H5	107.943
O3	C1	H4	112.907	O3	C1	H5	106.911
H4	C1	H5	111.774

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B2PLYP/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	0.056
2	F	-0.287
3	O	-0.538
4	H	0.176
5	H	0.199
6	H	0.393

	x	y	z	Total
	-0.708	0.676	1.581	1.860
CHELPG
AIM
ESP

	x	y	z
x	2.456	0.205	-0.045
y	0.205	2.375	-0.164
z	-0.045	-0.164	2.256

<r²>	42.520
(<r²>)^1/2	6.521

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B2PLYP/6-311G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)