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MOPAC_4610/PM7_reference | Zn[(C6H9)(NH2)3]2(++) | 4,610 | 2 | 1 | C1C2CC3CC1[NH2][Zn+2]14([NH2]2)([NH2]3)[NH2]C2CC([NH2]4)CC([NH2]1)C2 | 3.1.0 | C1C2CC3CC1[NH2+][Zn]14([NH2+]2)([NH2+]3)[NH2+]C2CC(CC(C2)[NH2+]1)[NH2+]4 | 2024.03.5 | C1C2CC3CC1[NH2][Zn]45([NH2]2)([NH2]3)[NH2]C6CC(CC(C6)[NH2]4)[NH2]5 | 20240905 | [
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MOPAC_4611/PM7_reference | Zn[N(SiMe3)2]2 | 4,611 | 0 | 1 | C[Si](N([Si](C)(C)C)[Zn]N([Si](C)(C)C)[Si](C)(C)C)(C)C | 3.1.0 | C[Si](C)(C)N([Zn]N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 2024.03.5 | C[Si](C)(C)N([Si](C)(C)C)[Zn]N([Si](C)(C)C)[Si](C)(C)C | 20240905 | [
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MOPAC_4612/PM7_reference | ZnN3O2 | 4,612 | 0 | 1 | OC(=O)C(=O)O[Zn]12N3C=CC=CC3=Nc3n2c(N=C2N1C=CC=C2)cc3 | 3.1.0 | O=C(O)C(=O)O[Zn]12N3C=CC=CC3=Nc3ccc(n31)N=C1C=CC=CN12 | 2024.03.5 | C1=CC2=NC3=CC=C4N=C5C=CC=CN5[Zn](N2C=C1)(N34)OC(=O)C(=O)O | 20240905 | [
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MOPAC_4613/PM7_reference | Zr(CH2Si(Me)3)4 | 4,613 | 0 | 1 | C[Si](C[Zr](C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C)(C)C | 3.1.0 | C[Si](C)(C)C[Zr](C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C | 2024.03.5 | C[Si](C)(C)C[Zr](C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C | 20240905 | [
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MOPAC_4614/PM7_reference | Zr(II)(H2O)6 | 4,614 | 2 | 1 | O.O.O.O.O.O.[Zr+2] | 3.1.0 | O.O.O.O.O.O.[Zr] | 2024.03.5 | O.O.O.O.O.O.[Zr] | 20240905 | [
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MOPAC_4615/PM7_reference | Zr(II)(NH3)6 | 4,615 | 2 | 1 | [NH3][Zr+2]([NH3])([NH3])([NH3])([NH3])[NH3] | 3.1.0 | [NH3+][Zr]([NH3+])([NH3+])([NH3+])([NH3+])[NH3+] | 2024.03.5 | [NH3][Zr]([NH3])([NH3])([NH3])([NH3])[NH3] | 20240905 | [
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] | 982.8216 | null | PW91D | kJ/mol | null | null | null | null | null | null | null | null | null | null | null | 1,088.329528 | kJ/mol |
MOPAC_4616/PM7_reference | ZrH4 | 4,616 | 0 | 1 | [ZrH4] | 3.1.0 | [Zr] | 2024.03.5 | [ZrH4] | 20240905 | [
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MOPAC_4617/PM7_reference | tert-Butyl iodide | 4,617 | 0 | 1 | CC(I)(C)C | 3.1.0 | CC(C)(C)I | 2024.03.5 | CC(C)(C)I | 20240905 | [
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] | -71.9648 | null | NIST | kJ/mol | null | null | null | null | null | null | null | null | null | null | null | -60.7726 | kJ/mol |