File: cu3cl3.mop

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file content (13 lines) | stat: -rw-r--r-- 397 bytes parent folder | download | duplicates (2)
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*
*   -31.403
*
 UHF PULAY PM7
Cu3Cl3
 H=-61.2 HR=JANAF86
 Cu    -0.35670210 +1  -0.05790316 +1  -0.31349044 +1
 Cl     0.63763652 +1   1.78574199 +1  -0.65542578 +1
 Cu     2.06054084 +1   1.11631430 +1   0.93146284 +1
 Cl     3.62669567 +1   0.30820432 +1  -0.40332200 +1
 Cu     2.31462390 +1  -1.34753532 +1  -0.65005079 +1
 Cl     0.90133118 +1  -1.21237434 +1   1.03995834 +1