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	hartrees
Energy at 0K	-214.958620
Energy at 298.15K
HF Energy	-214.958620
Nuclear repulsion energy	79.496439

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	3882	3727	44.55	67.70	0.30	0.46
2	A	3146	3020	42.55	69.94	0.47	0.64
3	A	3045	2924	74.14	104.00	0.14	0.25
4	A	1533	1472	3.90	7.07	0.74	0.85
5	A	1467	1408	40.99	5.67	0.75	0.86
6	A	1406	1350	15.11	5.54	0.75	0.85
7	A	1275	1224	6.14	6.90	0.72	0.83
8	A	1176	1129	161.02	2.94	0.27	0.42
9	A	1084	1041	118.11	1.87	0.42	0.59
10	A	1036	994	122.40	2.83	0.60	0.75
11	A	555	533	42.22	1.81	0.63	0.77
12	A	404	388	119.67	4.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.507	0.048
F2	1.127	-0.308	-0.027
O3	-1.138	-0.214	-0.116
H4	0.069	1.011	1.018
H5	0.065	1.221	-0.772
H6	-1.254	-0.786	0.644

	C1	F2	O3	H4	H5	H6
C1		1.3819	1.3687	1.0944	1.0882	1.9066
F2	1.3819		2.2688	1.9878	2.0050	2.5199
O3	1.3687	2.2688		2.0599	1.9843	0.9588
H4	1.0944	1.9878	2.0599		1.8018	2.2623
H5	1.0882	2.0050	1.9843	1.8018		2.7883
H6	1.9066	2.5199	0.9588	2.2623	2.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.721	F2	C1	O3	111.140
F2	C1	H4	106.208	F2	C1	H5	107.935
O3	C1	H4	113.035	O3	C1	H5	107.173
H4	C1	H5	111.283

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B1B95/6-311G**

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	0.191
2	F	-0.279
3	O	-0.367
4	H	0.094
5	H	0.111
6	H	0.249

	x	y	z	Total
	-0.739	0.718	1.491	1.812
CHELPG
AIM
ESP

	x	y	z
x	2.511	0.198	-0.049
y	0.198	2.429	-0.151
z	-0.049	-0.151	2.325

<r²>	42.055
(<r²>)^1/2	6.485

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)