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	hartrees
Energy at 0K	-214.686597
Energy at 298.15K
HF Energy	-213.997655
Nuclear repulsion energy	79.459357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3889	3722	53.00
2	A	3172	3035	24.67
3	A	3086	2954	47.82
4	A	1567	1500	1.34
5	A	1477	1413	31.37
6	A	1425	1363	19.36
7	A	1295	1240	7.97
8	A	1174	1124	152.74
9	A	1100	1053	142.82
10	A	1060	1015	84.38
11	A	553	529	26.38
12	A	375	359	115.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.510	0.047
F2	1.124	-0.312	-0.025
O3	-1.138	-0.215	-0.119
H4	0.068	1.010	1.015
H5	0.079	1.220	-0.774
H6	-1.278	-0.761	0.657

	C1	F2	O3	H4	H5	H6
C1		1.3780	1.3767	1.0909	1.0864	1.9171
F2	1.3780		2.2661	1.9863	1.9998	2.5373
O3	1.3767	2.2661		2.0596	1.9921	0.9589
H4	1.0909	1.9863	2.0596		1.8009	2.2539
H5	1.0864	1.9998	1.9921	1.8009		2.7951
H6	1.9171	2.5373	0.9589	2.2539	2.7951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.019	F2	C1	O3	110.701
F2	C1	H4	106.549	F2	C1	H5	107.892
O3	C1	H4	112.651	O3	C1	H5	107.370
H4	C1	H5	111.611

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: CCD/aug-cc-pVTZ

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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All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)