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	hartrees
Energy at 0K	-391.172639
Energy at 298.15K
HF Energy	-391.172639
Nuclear repulsion energy	62.645434

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	2242	2164	31.22	312.21	0.03	0.05
2	A₁	975	941	174.13	1.03	0.75	0.86
3	A₁	857	828	71.61	5.48	0.30	0.46
4	E	2252	2174	127.89	51.45	0.75	0.86
4	E	2252	2174	127.91	51.44	0.75	0.86
5	E	952	919	76.14	5.53	0.75	0.86
5	E	952	919	76.15	5.54	0.75	0.86
6	E	719	694	51.40	5.37	0.75	0.86
6	E	719	694	51.40	5.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.505
F2	0.000	0.000	-1.109
H3	0.000	1.409	0.968
H4	-1.220	-0.704	0.968
H5	1.220	-0.704	0.968

	Si1	F2	H3	H4	H5
Si1		1.6139	1.4829	1.4829	1.4829
F2	1.6139		2.5093	2.5093	2.5093
H3	1.4829	2.5093		2.4403	2.4403
H4	1.4829	2.5093	2.4403		2.4403
H5	1.4829	2.5093	2.4403	2.4403

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.172	F2	Si1	H4	108.172
F2	Si1	H5	108.172	H3	Si1	H4	110.738
H3	Si1	H5	110.738	H4	Si1	H5	110.738

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B3PW91/aug-cc-pVTZ

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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Number	Element	Mulliken
1	Si	1.083
2	F	-0.618
3	H	-0.155
4	H	-0.155
5	H	-0.155

	x	y	z	Total
	0.000	0.000	1.373	1.373
CHELPG
AIM
ESP

<r²>	35.986
(<r²>)^1/2	5.999

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)