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	hartrees
Energy at 0K	-214.385922
Energy at 298.15K
HF Energy	-213.897236
Nuclear repulsion energy	78.899654

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	3775	3557	42.66	66.11	0.30	0.46
2	A	3225	3038	44.47	60.69	0.50	0.67
3	A	3114	2934	66.31	87.61	0.15	0.26
4	A	1604	1512	3.23	9.56	0.73	0.84
5	A	1506	1419	56.70	7.34	0.75	0.86
6	A	1435	1352	18.58	6.84	0.75	0.86
7	A	1300	1225	6.37	8.88	0.72	0.84
8	A	1175	1107	146.50	3.75	0.31	0.47
9	A	1112	1048	128.78	2.80	0.37	0.55
10	A	1061	999	90.75	3.18	0.44	0.61
11	A	551	519	51.89	1.92	0.64	0.78
12	A	399	376	126.46	4.66	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.017	0.512	0.050
F2	1.135	-0.310	-0.030
O3	-1.150	-0.214	-0.116
H4	0.068	1.015	1.021
H5	0.057	1.228	-0.770
H6	-1.237	-0.818	0.641

	C1	F2	O3	H4	H5	H6
C1		1.3901	1.3838	1.0954	1.0890	1.9211
F2	1.3901		2.2884	1.9997	2.0189	2.5166
O3	1.3838	2.2884		2.0702	1.9908	0.9724
H4	1.0954	1.9997	2.0702		1.8038	2.2820
H5	1.0890	2.0189	1.9908	1.8038		2.8021
H6	1.9211	2.5166	0.9724	2.2820	2.8021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.966	F2	C1	O3	111.164
F2	C1	H4	106.531	F2	C1	H5	108.438
O3	C1	H4	112.723	O3	C1	H5	106.628
H4	C1	H5	111.336

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: MP2=FULL/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)