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	hartrees
Energy at 0K	-139.581316
Energy at 298.15K	-139.584343
HF Energy	-139.106922
Nuclear repulsion energy	37.385807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3091	2936	31.47	163.03	0.02	0.04
2	A₁	1502	1427	1.21	0.43	0.10	0.18
3	A₁	1076	1022	106.69	6.47	0.33	0.49
4	E	3196	3035	21.36	39.45	0.75	0.86
4	E	3196	3035	21.36	39.45	0.75	0.86
5	E	1524	1447	5.20	3.82	0.75	0.86
5	E	1524	1447	5.20	3.82	0.75	0.86
6	E	1212	1151	1.28	1.49	0.75	0.86
6	E	1212	1151	1.28	1.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.634
F2	0.000	0.000	0.751
H3	0.000	1.028	-0.983
H4	0.890	-0.514	-0.983
H5	-0.890	-0.514	-0.983

	C1	F2	H3	H4	H5
C1		1.3850	1.0855	1.0855	1.0855
F2	1.3850		2.0158	2.0158	2.0158
H3	1.0855	2.0158		1.7804	1.7804
H4	1.0855	2.0158	1.7804		1.7804
H5	1.0855	2.0158	1.7804	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.753	F2	C1	H4	108.753
F2	C1	H5	108.753	H3	C1	H4	110.179
H3	C1	H5	110.179	H4	C1	H5	110.179

All results from a given calculation for CH₃F (Methyl fluoride)

using model chemistry: MP2/aug-cc-pVQZ

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 CH3F (Methyl fluoride)

using model chemistry: MP2/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₃F (Methyl fluoride)