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	hartrees
Energy at 0K	-214.894828
Energy at 298.15K
HF Energy	-214.894828
Nuclear repulsion energy	79.234039

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	3889	3703	64.38	68.45	0.24	0.39
2	A	3180	3028	31.69	70.84	0.52	0.69
3	A	3084	2936	60.48	110.64	0.13	0.23
4	A	1544	1470	3.42	7.74	0.75	0.85
5	A	1459	1390	42.38	5.63	0.75	0.86
6	A	1387	1321	17.09	5.26	0.73	0.85
7	A	1271	1211	7.01	6.20	0.68	0.81
8	A	1189	1132	179.65	3.69	0.21	0.34
9	A	1085	1033	169.77	2.91	0.29	0.45
10	A	1041	991	84.12	3.11	0.54	0.70
11	A	550	523	40.14	1.35	0.60	0.75
12	A	382	364	144.24	2.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.514	0.049
F2	1.127	-0.312	-0.027
O3	-1.139	-0.213	-0.117
H4	0.072	1.010	1.024
H5	0.073	1.227	-0.774
H6	-1.266	-0.800	0.638

	C1	F2	O3	H4	H5	H6
C1		1.3873	1.3746	1.0956	1.0901	1.9277
F2	1.3873		2.2704	1.9920	2.0092	2.5313
O3	1.3746	2.2704		2.0650	1.9940	0.9645
H4	1.0956	1.9920	2.0650		1.8108	2.2837
H5	1.0901	2.0092	1.9940	1.8108		2.8100
H6	1.9277	2.5313	0.9645	2.2837	2.8100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.756	F2	C1	O3	110.585
F2	C1	H4	106.101	F2	C1	H5	107.788
O3	C1	H4	112.946	O3	C1	H5	107.445
H4	C1	H5	111.888

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: M06-2X/6-31+G**

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	0.205
2	F	-0.338
3	O	-0.518
4	H	0.130
5	H	0.151
6	H	0.370

	x	y	z	Total
	-0.731	0.864	1.596	1.957
CHELPG
AIM
ESP

	x	y	z
x	2.898	0.147	-0.028
y	0.147	2.762	-0.062
z	-0.028	-0.062	2.643

<r²>	42.555
(<r²>)^1/2	6.523

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)