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SHIFT=20 SYMMETRY PM7 Titanium tetrachloride I=11.7 IR=LLNBS82 H=-182.4 HR=NIST S=84.42 CP=22.8 Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Ti 2.18033995 +1 0.0000000 +0 0.0000000 +0 1 0 0 Cl 2.18033995 +1 109.4712210 +1 0.0000000 +0 2 1 0 Cl 2.18033995 +1 109.4712210 +1 120.0000000 +1 2 1 3 Cl 2.18033995 +1 109.4712210 +1 -120.0000000 +1 2 1 3