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	hartrees
Energy at 0K	-391.174587
Energy at 298.15K
HF Energy	-391.174587
Nuclear repulsion energy	61.678829

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	2241	2241	29.65	320.20	0.03	0.05
2	A₁	960	960	162.66	1.09	0.75	0.85
3	A₁	830	830	76.59	5.79	0.27	0.42
4	E	2256	2256	118.72	53.50	0.75	0.86
4	E	2256	2256	118.74	53.70	0.75	0.86
5	E	945	945	73.35	6.18	0.75	0.86
5	E	945	945	73.36	6.18	0.75	0.86
6	E	705	705	47.42	5.57	0.75	0.86
6	E	705	705	47.42	5.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.518
F2	0.000	0.000	-1.129
H3	0.000	1.419	0.971
H4	-1.229	-0.709	0.971
H5	1.229	-0.709	0.971

	Si1	F2	H3	H4	H5
Si1		1.6474	1.4893	1.4893	1.4893
F2	1.6474		2.5349	2.5349	2.5349
H3	1.4893	2.5349		2.4570	2.4570
H4	1.4893	2.5349	2.4570		2.4570
H5	1.4893	2.5349	2.4570	2.4570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	107.724	F2	Si1	H4	107.724
F2	Si1	H5	107.724	H3	Si1	H4	111.160
H3	Si1	H5	111.160	H4	Si1	H5	111.160

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: mPW1PW91/daug-cc-pVDZ

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	-0.232
2	F	-0.620
3	H	0.284
4	H	0.284
5	H	0.284

	x	y	z	Total
	0.000	0.000	1.636	1.636
CHELPG
AIM
ESP

<r²>	36.732
(<r²>)^1/2	6.061

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: mPW1PW91/daug-cc-pVDZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)