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	hartrees
Energy at 0K	-214.902560
Energy at 298.15K
HF Energy	-214.902560
Nuclear repulsion energy	79.321614

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	3909	3909	37.90	71.74	0.29	0.45
2	A	3138	3138	52.80	70.22	0.47	0.64
3	A	3036	3036	79.69	97.08	0.15	0.27
4	A	1557	1557	3.34	9.80	0.73	0.84
5	A	1484	1484	51.62	6.92	0.75	0.86
6	A	1415	1415	22.57	6.61	0.75	0.86
7	A	1284	1284	5.54	9.20	0.72	0.84
8	A	1184	1184	157.11	3.35	0.30	0.47
9	A	1101	1101	138.86	2.74	0.36	0.53
10	A	1057	1057	84.19	2.53	0.56	0.72
11	A	551	551	40.64	1.84	0.65	0.79
12	A	394	394	125.77	4.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.018	0.505	0.048
F2	1.129	-0.309	-0.028
O3	-1.143	-0.213	-0.116
H4	0.066	1.016	1.020
H5	0.062	1.228	-0.770
H6	-1.255	-0.794	0.642

	C1	F2	O3	H4	H5	H6
C1		1.3798	1.3745	1.0989	1.0926	1.9137
F2	1.3798		2.2756	1.9958	2.0132	2.5236
O3	1.3745	2.2756		2.0643	1.9888	0.9619
H4	1.0989	1.9958	2.0643		1.8025	2.2728
H5	1.0926	2.0132	1.9888	1.8025		2.7963
H6	1.9137	2.5236	0.9619	2.2728	2.7963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.691	F2	C1	O3	111.416
F2	C1	H4	106.705	F2	C1	H5	108.470
O3	C1	H4	112.667	O3	C1	H5	106.880
H4	C1	H5	110.671

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: wB97X-D/6-31G**

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	0.294
2	F	-0.324
3	O	-0.528
4	H	0.098
5	H	0.126
6	H	0.334

	x	y	z	Total
	-0.620	0.602	1.488	1.721
CHELPG
AIM
ESP

	x	y	z
x	2.384	0.219	-0.041
y	0.219	2.366	-0.175
z	-0.041	-0.175	2.325

<r²>	42.095
(<r²>)^1/2	6.488

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: wB97X-D/6-31G**

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)