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	hartrees
Energy at 0K	-214.942775
Energy at 298.15K
HF Energy	-214.708554
Nuclear repulsion energy	79.106859

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	3828	3828	50.89	73.83	0.17	0.29
2	A	3159	3159	24.96	59.25	0.49	0.65
3	A	3071	3071	51.07	113.50	0.09	0.16
4	A	1549	1549	1.23	3.56	0.75	0.86
5	A	1453	1453	24.00	1.32	0.74	0.85
6	A	1406	1406	17.29	2.54	0.48	0.65
7	A	1275	1275	8.64	3.01	0.56	0.71
8	A	1141	1141	121.79	5.82	0.11	0.20
9	A	1075	1075	105.53	0.55	0.21	0.35
10	A	997	997	171.60	4.45	0.39	0.56
11	A	540	540	25.35	1.21	0.46	0.63
12	A	386	386	112.70	1.61	0.72	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.512	0.047
F2	1.134	-0.311	-0.025
O3	-1.142	-0.218	-0.120
H4	0.064	1.009	1.015
H5	0.073	1.217	-0.776
H6	-1.294	-0.756	0.663

	C1	F2	O3	H4	H5	H6
C1		1.3916	1.3772	1.0894	1.0849	1.9232
F2	1.3916		2.2796	1.9915	2.0061	2.5629
O3	1.3772	2.2796		2.0611	1.9918	0.9615
H4	1.0894	1.9915	2.0611		1.8024	2.2549
H5	1.0849	2.0061	1.9918	1.8024		2.7987
H6	1.9232	2.5629	0.9615	2.2549	2.7987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.353	F2	C1	O3	110.832
F2	C1	H4	106.138	F2	C1	H5	107.554
O3	C1	H4	112.842	O3	C1	H5	107.402
H4	C1	H5	111.984

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B2PLYP=FULL/daug-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: B2PLYP=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)