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	hartrees
Energy at 0K	-214.565597
Energy at 298.15K
HF Energy	-213.920847
Nuclear repulsion energy	79.920579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3943	3943	44.67
2	A	3196	3196	38.43
3	A	3108	3108	56.00
4	A	1583	1583	1.52
5	A	1514	1514	44.83
6	A	1451	1451	22.40
7	A	1327	1327	8.66
8	A	1201	1201	161.07
9	A	1144	1144	118.27
10	A	1089	1089	51.48
11	A	561	561	30.75
12	A	383	383	115.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.026	0.502	0.047
F2	1.115	-0.311	-0.027
O3	-1.136	-0.210	-0.116
H4	0.071	1.016	1.011
H5	0.074	1.222	-0.768
H6	-1.251	-0.772	0.648

	C1	F2	O3	H4	H5	H6
C1		1.3610	1.3730	1.0927	1.0877	1.9023
F2	1.3610		2.2549	1.9814	1.9950	2.5037
O3	1.3730	2.2549		2.0565	1.9847	0.9561
H4	1.0927	1.9814	2.0565		1.7902	2.2529
H5	1.0877	1.9950	1.9847	1.7902		2.7818
H6	1.9023	2.5037	0.9561	2.2529	2.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.187	F2	C1	O3	111.127
F2	C1	H4	107.204	F2	C1	H5	108.603
O3	C1	H4	112.540	O3	C1	H5	106.954
H4	C1	H5	110.376

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: MP3=FULL/6-31G(2df,p)

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: MP3=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)