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	hartrees
Energy at 0K	-751.555329
Energy at 298.15K
HF Energy	-751.555329
Nuclear repulsion energy	86.312906

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	2142	54.77	268.75	0.01	0.03
2	A₁	955	913	256.26	5.66	0.52	0.68
3	A₁	556	531	72.17	7.68	0.26	0.41
4	E	2248	2147	105.06	71.97	0.75	0.86
4	E	2248	2147	104.98	72.04	0.75	0.86
5	E	960	917	59.27	11.44	0.75	0.86
5	E	960	917	59.34	11.44	0.75	0.86
6	E	663	633	25.92	5.93	0.75	0.86
6	E	663	633	25.96	5.97	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	-0.700	-1.456
H5	-1.212	-0.700	-1.456

	Si1	Cl2	H3	H4	H5
Si1		2.0563	1.4755	1.4755	1.4755
Cl2	2.0563		2.8869	2.8869	2.8869
H3	1.4755	2.8869		2.4231	2.4231
H4	1.4755	2.8869	2.4231		2.4232
H5	1.4755	2.8869	2.4231	2.4232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	Si1	H3	108.532	Cl2	Si1	H4	108.532
Cl2	Si1	H5	108.532	H3	Si1	H4	110.394
H3	Si1	H5	110.394	H4	Si1	H5	110.394

All results from a given calculation for SiH₃Cl (chlorosilane)

using model chemistry: wB97X-D/Def2TZVPP

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	0.330
2	Cl	-0.235
3	H	-0.032
4	H	-0.032
5	H	-0.032

	x	y	z	Total
	0.000	0.000	-1.309	1.309
CHELPG
AIM
ESP

	x	y	z
x	5.057	0.000	0.000
y	0.000	5.059	-0.001
z	0.000	-0.001	6.640

All results from a given calculation for SiH3Cl (chlorosilane)

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

All results from a given calculation for SiH₃Cl (chlorosilane)