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1 parent 21c491c commit 7025e80Copy full SHA for 7025e80
geo.txt
@@ -484,21 +484,21 @@ Chem Phys 144(8):084305/1-084305/7
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[http://dx.doi.org/10.1063/1.4942024]
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# Date first added: 2023-07-05 (by Sichao Xiong)
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-S = O 1.434(9)
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-S Cl 2.072(3)
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-Cl S = O 108.00(6)
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-Cl S Cl 97.08
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-Cl S = O...Cl 104.0(3)
+S = O 1.434(9)
+S Cl 2.072(3)
+Cl S = O 108.00(6)
+Cl S Cl 97.08
+Cl S = O...Cl 104.0(3)
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# Bond lengths: re (angstroms)
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# Bond angles: thetae (degrees)
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# Dihedral angles: taue (degrees)
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-S O (2) 1.4340(7)
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-S Cl 2.0700(3)
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-Cl S O (2) 107.703(6)
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-Cl S Cl 96.929
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-Cl S O (2)...Cl 103.58(3)
+S = O 1.4340(7)
+S Cl 2.0700(3)
+Cl S = O 107.703(6)
+Cl S Cl 96.929
+Cl S = O...Cl 103.58(3)
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NAME = Cl4Te
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# Point Group: C2v
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