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	hartrees
Energy at 0K	-211.114897
Energy at 298.15K
HF Energy	-211.005495
Nuclear repulsion energy	76.840396

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	3877	3446	36.91	36.82	0.30	0.46
2	A	3416	3037	12.44	30.45	0.66	0.79
3	A	3288	2923	25.22	34.74	0.17	0.29
4	A	1706	1516	3.06	11.48	0.73	0.85
5	A	1633	1452	23.82	12.73	0.71	0.83
6	A	1555	1382	23.05	2.95	0.74	0.85
7	A	1346	1196	2.59	8.71	0.72	0.84
8	A	1260	1120	22.22	4.43	0.72	0.84
9	A	1159	1030	13.84	4.82	0.21	0.34
10	A	1087	966	24.04	1.16	0.63	0.77
11	A	510	453	25.34	1.47	0.68	0.81
12	A	356	316	63.87	7.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	0.525	0.051
F2	1.150	-0.324	-0.036
O3	-1.197	-0.216	-0.114
H4	0.075	1.071	1.036
H5	0.062	1.283	-0.775
H6	-1.148	-0.866	0.666

	C1	F2	O3	H4	H5	H6
C1		1.3997	1.4519	1.1265	1.1207	1.9304
F2	1.3997		2.3512	2.0609	2.0761	2.4636
O3	1.4519	2.3512		2.1442	2.0656	1.0165
H4	1.1265	2.0609	2.1442		1.8229	2.3210
H5	1.1207	2.0761	2.0656	1.8229		2.8559
H6	1.9304	2.4636	1.0165	2.3210	2.8559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	101.433	F2	C1	O3	111.065
F2	C1	H4	108.853	F2	C1	H5	110.431
O3	C1	H4	111.912	O3	C1	H5	106.106
H4	C1	H5	108.423

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)