Nama : Ianatul Khafidlah

Kelas : KB 2017
NIM : 17030234038

Menghitung energi suatu senyawa

------------MM2 Minimization------------
Note: All parameters used are finalized (Quality = 4).
Iteration 100: Minimization terminated normally because the gradient norm is less than the
minimum gradient norm
Stretch : 2.1547
Bend : 37.8472
Stretch-Bend : -1.0457
Torsion : 1.8480
Non-1,4 VDW : -0.2078
1,4 VDW : 10.7492
Total Energy : 51.3457 kcal/mol atau [51.3457 x (4,18 x 103 J)] = 214.625,026 J/mol
atau 214,625 KJ/mol
Calculation completed
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∆𝐻 = ∑ 𝐸𝑛𝑒𝑟𝑔𝑖 𝑖𝑘𝑎𝑡𝑎𝑛 𝑘𝑖𝑟𝑖 − ∑ 𝐸𝑛𝑒𝑟𝑔𝑖 𝑖𝑘𝑎𝑡𝑎𝑛 𝑘𝑎𝑛𝑎𝑛

∆𝐻 = [343 + 839 + 2(436)] − [2(343) + 4(410)]

𝐾𝐽
∆𝐻 = 2054 − 2326 = −272 𝑎𝑡𝑎𝑢 − 272𝑥103 𝐽/𝑚𝑜𝑙
𝑚𝑜𝑙
------------ GAMESS Interface ------------

Model: Untitled-1

GAMESS Job: Minimize (Energy/Geometry) RHF/STO-2G

Finish @ energy = -47723.569428 Kcal/Mol (-76.052412 Hartrees)

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------------ GAMESS Interface ------------

Model: Untitled-1

GAMESS Job: Minimize (Energy/Geometry) RHF/3-21G

GAMESS Interface: Total Energy = -49443.902 Kcal/Mol

Finish @ energy = -49443.902019 Kcal/Mol (-78.793939 Hartrees)

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------------ GAMESS Interface ------------

Model: Untitled-1

GAMESS Job: Minimize (Energy/Geometry) RHF/STO-3G

GAMESS Interface: Total Energy = -49137.8232 Kcal/Mol

Finish @ energy = -49137.823213 Kcal/Mol (-78.30617 Hartrees)

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------------ GAMESS Interface ------------

Model: Untitled-1

GAMESS Job: Minimize (Energy/Geometry) RHF/6-311G

GAMESS Interface: Total Energy = -49706.1151 Kcal/Mol

Finish @ energy = -49706.115063 Kcal/Mol (-79.211802 Hartrees)

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------------ GAMESS Interface ------------

Model: Untitled-1

GAMESS Job: Minimize (Energy/Geometry) RHF/STO-4G

Finish @ energy = -49487.35239 Kcal/Mol (-78.863181 Hartrees)

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------------ GAMESS Interface ------------

Model: Untitled-1

GAMESS Job: Minimize (Energy/Geometry) RHF/STO-5G

Finish @ energy = -49584.593567 Kcal/Mol (-79.018145 Hartrees)

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------------ GAMESS Interface ------------

Model: Untitled-1

GAMESS Job: Minimize (Energy/Geometry) RHF/STO-6G

GAMESS Interface: Total Energy = -49614.6367 Kcal/Mol

Finish @ energy = -49614.636739 Kcal/Mol (-79.066022 Hartrees)

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------------ GAMESS Interface ------------

Model: Untitled-1

GAMESS Job: Minimize (Energy/Geometry) RHF/3-21G

GAMESS Interface: Total Energy = -49443.9064 Kcal/Mol

Finish @ energy = -49443.906366 Kcal/Mol (-78.793945 Hartrees)

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------------ GAMESS Interface ------------

Model: Untitled-1

GAMESS Job: Minimize (Energy/Geometry) RHF/6-21G

GAMESS Interface: Total Energy = -49659.8126 Kcal/Mol

Finish @ energy = -49659.812646 Kcal/Mol (-79.138014 Hartrees)

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------------ GAMESS Interface ------------

Model: Untitled-1

GAMESS Job: Compute Properties RHF/4-31G

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------------ GAMESS Interface ------------

Model: Untitled-1

GAMESS Job: Minimize (Energy/Geometry) RHF/4-31G

GAMESS Interface: Total Energy = -49645.9559 Kcal/Mol

Finish @ energy = -49645.955906 Kcal/Mol (-79.115932 Hartrees)

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------------ GAMESS Interface ------------

Model: Untitled-1

GAMESS Job: Minimize (Energy/Geometry) RHF/5-31G

GAMESS Interface: Total Energy = -49686.6478 Kcal/Mol

Finish @ energy = -49686.647799 Kcal/Mol (-79.180779 Hartrees)

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------------ GAMESS Interface ------------

Model: Untitled-1

GAMESS Job: Minimize (Energy/Geometry) RHF/6-31G

GAMESS Interface: Total Energy = -49697.1849 Kcal/Mol

Finish @ energy = -49697.184927 Kcal/Mol (-79.197571 Hartrees)

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