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	hartrees
Energy at 0K	-214.835179
Energy at 298.15K
HF Energy	-214.650933
Nuclear repulsion energy	78.560805

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	3817	3817	49.68	74.99	0.17	0.30
2	A	3179	3179	24.68	59.27	0.52	0.69
3	A	3082	3082	51.10	117.45	0.09	0.16
4	A	1516	1516	1.99	3.66	0.75	0.86
5	A	1429	1429	30.49	1.80	0.69	0.81
6	A	1391	1391	11.82	2.29	0.45	0.62
7	A	1254	1254	7.21	3.24	0.56	0.72
8	A	1137	1137	138.06	5.68	0.11	0.20
9	A	1064	1064	81.89	0.79	0.18	0.30
10	A	971	971	175.67	5.04	0.36	0.53
11	A	530	530	28.32	1.26	0.45	0.62
12	A	384	384	110.19	1.72	0.71	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.009	0.517	0.047
F2	1.143	-0.311	-0.025
O3	-1.149	-0.221	-0.120
H4	0.065	1.014	1.025
H5	0.069	1.225	-0.784
H6	-1.289	-0.770	0.662

	C1	F2	O3	H4	H5	H6
C1		1.4065	1.3826	1.0981	1.0936	1.9279
F2	1.4065		2.2956	2.0054	2.0217	2.5691
O3	1.3826	2.2956		2.0760	2.0037	0.9654
H4	1.0981	2.0054	2.0760		1.8207	2.2691
H5	1.0936	2.0217	2.0037	1.8207		2.8131
H6	1.9279	2.5691	0.9654	2.2691	2.8131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.098	F2	C1	O3	110.783
F2	C1	H4	105.737	F2	C1	H5	107.265
O3	C1	H4	113.123	O3	C1	H5	107.460
H4	C1	H5	112.352

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B2PLYP=FULLultrafine/daug-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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All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)