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	hartrees
Energy at 0K	-751.566642
Energy at 298.15K
HF Energy	-751.566642
Nuclear repulsion energy	86.288054

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	2236	2236	54.72	271.95	0.01	0.02
2	A₁	955	955	256.39	5.76	0.52	0.69
3	A₁	556	556	73.00	7.94	0.26	0.41
4	E	2241	2241	105.66	72.66	0.75	0.86
4	E	2241	2241	105.63	72.70	0.75	0.86
5	E	960	960	59.83	11.49	0.75	0.86
5	E	960	960	59.89	11.48	0.75	0.86
6	E	663	663	25.74	6.25	0.75	0.86
6	E	663	663	25.78	6.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-0.987
Cl2	0.000	0.000	1.070
H3	0.000	1.399	-1.456
H4	1.212	-0.699	-1.456
H5	-1.212	-0.699	-1.456

	Si1	Cl2	H3	H4	H5
Si1		2.0573	1.4752	1.4752	1.4752
Cl2	2.0573		2.8871	2.8871	2.8871
H3	1.4752	2.8871		2.4230	2.4230
H4	1.4752	2.8871	2.4230		2.4230
H5	1.4752	2.8871	2.4230	2.4230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	Si1	H3	108.505	Cl2	Si1	H4	108.505
Cl2	Si1	H5	108.505	H3	Si1	H4	110.420
H3	Si1	H5	110.420	H4	Si1	H5	110.420

All results from a given calculation for SiH₃Cl (chlorosilane)

using model chemistry: wB97X-D/cc-pV(T+d)Z

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	0.329
2	Cl	-0.218
3	H	-0.037
4	H	-0.037
5	H	-0.037

	x	y	z	Total
	0.000	0.000	-1.326	1.326
CHELPG
AIM
ESP

	x	y	z
x	5.082	0.000	0.000
y	0.000	5.084	-0.001
z	0.000	-0.001	6.664

<r²>	62.479
(<r²>)^1/2	7.904

All results from a given calculation for SiH3Cl (chlorosilane)

using model chemistry: wB97X-D/cc-pV(T+d)Z

States and conformations

All results from a given calculation for SiH₃Cl (chlorosilane)