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	hartrees
Energy at 0K	-214.935861
Energy at 298.15K
HF Energy	-214.701753
Nuclear repulsion energy	79.229212

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	3857	3857	52.49	68.53	0.20	0.33
2	A	3160	3160	25.57	59.22	0.50	0.67
3	A	3069	3069	52.09	105.77	0.10	0.18
4	A	1549	1549	1.24	3.90	0.75	0.86
5	A	1457	1457	22.56	1.49	0.75	0.86
6	A	1405	1405	17.62	2.53	0.60	0.75
7	A	1279	1279	8.61	3.10	0.61	0.75
8	A	1147	1147	126.31	5.29	0.12	0.22
9	A	1077	1077	106.59	0.61	0.28	0.44
10	A	1001	1001	167.04	4.35	0.42	0.59
11	A	542	542	27.24	1.26	0.47	0.64
12	A	382	382	116.65	1.62	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.511	0.047
F2	1.132	-0.310	-0.025
O3	-1.140	-0.217	-0.119
H4	0.066	1.008	1.015
H5	0.074	1.218	-0.774
H6	-1.291	-0.762	0.657

	C1	F2	O3	H4	H5	H6
C1		1.3883	1.3749	1.0900	1.0853	1.9223
F2	1.3883		2.2758	1.9890	2.0041	2.5569
O3	1.3749	2.2758		2.0599	1.9904	0.9605
H4	1.0900	1.9890	2.0599		1.8018	2.2587
H5	1.0853	2.0041	1.9904	1.8018		2.7983
H6	1.9223	2.5569	0.9605	2.2587	2.7983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.520	F2	C1	O3	110.898
F2	C1	H4	106.122	F2	C1	H5	107.598
O3	C1	H4	112.866	O3	C1	H5	107.426
H4	C1	H5	111.845

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)