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We present a general, backend-agnostic implementation of moment-based point-charge perturbation that removes this restriction. The molecular charge density is perturbed by external point charges available in any QM\/MM-capable code, whether real-space-grid, plane-wave, or atom-centered, and the dipole\u2013dipole, dipole\u2013quadrupole, and quadrupole\u2013quadrupole tensors are recovered from finite differences of the perturbed multipole moments extrapolated to the zero-perturbation limit. The accuracy and generality of the method are established through three independent implementations spanning complementary numerical representations: GPAW (real-space grids), NWChem, and PySCF (atom-centered basis sets). Energy-based reference values (Gaussian 16) for all 19 commonly occurring point groups are reproduced within 3%. Furthermore, the finite-difference values agree with analytic coupled-perturbed Hartree\u2013Fock results to within 4%, at comparable cost for medium-sized systems and more favorable scaling for larger ones. Relative to conventional energy-based schemes that require basis set extrapolation, the method reduces the number of SCF evaluations by a factor of 27. It is distributed as the open-source package C-Pol.<\/jats:p>","DOI":"10.1021\/acs.jpca.6c04295","type":"journal-article","created":{"date-parts":[[2026,10,12]],"date-time":"2026-10-12T07:02:29Z","timestamp":1791788549000},"page":"8501-8516","source":"Crossref","is-referenced-by-count":0,"title":["C-Pol: Point-Charge\nPerturbation Scheme for\nMapping Tensor Moment Surfaces"],"prefix":"10.1021","volume":"130","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9676-6964","authenticated-orcid":true,"given":"Anoop","family":"Ajaya Kumar Nair","sequence":"first","affiliation":[{"name":"University of Iceland , , ,","place":["Reykjavi\u0301k, Iceland, 107"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Julian","family":"Bessner","sequence":"additional","affiliation":[{"name":"Ulm University , , Albert-Einstein-Allee 47 , ,","place":["Ulm, Germany, 89081"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7777-2306","authenticated-orcid":true,"given":"Timo","family":"Jacob","sequence":"additional","affiliation":[{"name":"Ulm University , , Albert-Einstein-Allee 47 , ,","place":["Ulm, Germany, 89081"]},{"name":"Helmholtz-Institute Ulm (HIU) Electrochemical Energy Storage , Helmholtzstr. 11 , ,","place":["Ulm, Germany, 89081"]},{"name":"Karlsruhe Institute of Technology (KIT) , P.O. Box 3640, ,","place":["Karlsruhe, Germany, 76021"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6273-1237","authenticated-orcid":true,"given":"Elvar O\u0308.","family":"Jo\u0301nsson","sequence":"additional","affiliation":[{"name":"University of Iceland , , ,","place":["Reykjavi\u0301k, Iceland, 107"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,10,12]]},"reference":[{"key":"2026102208070953500_cit1","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1002\/9780470143582.ch2","volume-title":"Advances\nin Chemical Physics","author":"Buckingham","year":"1967"},{"key":"2026102208070953500_cit2","doi-asserted-by":"publisher","first-page":"809","DOI":"10.1063\/1.449496","article-title":"A multipole\ninteraction theory of electric polarization of atomic and molecular\nassemblies","volume":"83","author":"Applequist","year":"1985","journal-title":"J. Chem. 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Lett."},{"key":"2026102208070953500_cit6","doi-asserted-by":"publisher","DOI":"10.1063\/1.2181141","article-title":"Experimental and theoretical determination\nof the dipole-quadrupole\nand dipole-octopole polarizabilities of the group IV tetrachlorides\nTiCl4, ZrCl4, and HfCl4","volume":"124","author":"Hohm","year":"2006","journal-title":"J. Chem. Phys."},{"key":"2026102208070953500_cit7","doi-asserted-by":"publisher","first-page":"S34","DOI":"10.1063\/1.1701512","article-title":"Electric Dipole Polarizability of Atoms by the Hartree\u2500Fock\nMethod. I. Theory for Closed-Shell Systems","volume":"43","author":"Cohen","year":"1965","journal-title":"J. Chem. Phys."},{"key":"2026102208070953500_cit8","doi-asserted-by":"publisher","first-page":"182","DOI":"10.1016\/0009-2614(85)85083-1","article-title":"On the dipole and higher polarizabilities of Ne(1S)","volume":"114","author":"Maroulis","year":"1985","journal-title":"Chem. Phys. 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Theory Comput."},{"key":"2026102208070953500_cit33","doi-asserted-by":"publisher","first-page":"6324","DOI":"10.1021\/acs.jctc.2c00378","article-title":"Fast Polarizable Water Model for\nAtomistic Simulations","volume":"18","author":"Xiong","year":"2022","journal-title":"J. Chem. Theory Comput."},{"key":"2026102208070953500_cit34","doi-asserted-by":"publisher","first-page":"16542","DOI":"10.1039\/c3cp52097h","article-title":"A transferable\nH2O interaction potential based on a single center multipole expansion:\nSCME","volume":"15","author":"Wikfeldt","year":"2013","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026102208070953500_cit35","doi-asserted-by":"publisher","first-page":"7528","DOI":"10.1021\/acs.jctc.2c00598","article-title":"Transferable\nPotential Function for Flexible H2O Molecules Based on the Single-Center\nMultipole Expansion","volume":"18","author":"Jo\u0301nsson","year":"2022","journal-title":"J. Chem. 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