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	hartrees
Energy at 0K	-214.923415
Energy at 298.15K
HF Energy	-214.923415
Nuclear repulsion energy	78.799346

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	3830	3694	46.42	73.99	0.19	0.32
2	A	3145	3033	27.35	62.42	0.50	0.67
3	A	3049	2941	56.04	116.38	0.09	0.17
4	A	1496	1443	2.21	3.72	0.74	0.85
5	A	1417	1367	31.51	1.92	0.71	0.83
6	A	1383	1334	10.82	2.23	0.50	0.67
7	A	1246	1202	6.08	3.32	0.57	0.72
8	A	1152	1111	147.05	4.30	0.12	0.22
9	A	1057	1019	81.92	1.10	0.20	0.33
10	A	985	951	164.86	4.26	0.46	0.63
11	A	533	514	28.28	1.15	0.51	0.67
12	A	388	374	110.60	2.00	0.73	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.009	0.512	0.047
F2	1.140	-0.310	-0.025
O3	-1.144	-0.220	-0.120
H4	0.065	1.017	1.024
H5	0.070	1.225	-0.785
H6	-1.295	-0.760	0.665

	C1	F2	O3	H4	H5	H6
C1		1.3998	1.3764	1.1014	1.0966	1.9243
F2	1.3998		2.2873	2.0043	2.0191	2.5702
O3	1.3764	2.2873		2.0740	2.0008	0.9646
H4	1.1014	2.0043	2.0740		1.8209	2.2666
H5	1.0966	2.0191	2.0008	1.8209		2.8115
H6	1.9243	2.5702	0.9646	2.2666	2.8115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.307	F2	C1	O3	110.951
F2	C1	H4	105.895	F2	C1	H5	107.337
O3	C1	H4	113.192	O3	C1	H5	107.474
H4	C1	H5	111.875

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B3PW91/aug-cc-pVDZ

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	1.143
2	F	-0.423
3	O	-0.377
4	H	-0.211
5	H	-0.251
6	H	0.119

	x	y	z	Total
	-0.861	0.866	1.451	1.897
CHELPG
AIM
ESP

	x	y	z
x	3.465	0.112	-0.038
y	0.112	3.193	-0.055
z	-0.038	-0.055	3.003

<r²>	42.907
(<r²>)^1/2	6.550

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)