# SAPT MC-8H2 complex memory 5 GB molecule { 0 1 O -2.32100000 9.57300000 -1.02100000 Mg -0.57500000 10.24400000 -1.67100000 Mg -1.98800000 7.80100000 -0.19200000 Mg -3.07100000 10.82100000 0.30900000 Mg -3.59700000 9.33200000 -2.51500000 O -2.07900000 7.97700000 1.79200000 O -0.19800000 7.16300000 -0.69100000 O -3.36000000 6.52900000 -0.75500000 O -1.93300000 12.43800000 0.46000000 O -3.14200000 9.95800000 2.09100000 O -4.87600000 11.43600000 -0.23400000 O -2.66900000 9.61100000 -4.24800000 O -4.43100000 7.55700000 -2.47900000 O -5.04900000 10.67900000 -2.36400000 O -0.57400000 10.25000000 -3.65500000 O 0.89400000 9.13600000 -0.97700000 O -0.26900000 12.10200000 -1.04400000 C -4.26900000 6.57300000 -1.66300000 C -1.47800000 9.96700000 -4.49800000 C -5.44700000 11.34700000 -1.36400000 C -0.88800000 12.78200000 -0.17100000 C 0.88100000 7.86000000 -0.79400000 C -2.64100000 8.86700000 2.49800000 H -6.38900000 11.91400000 -1.48900000 H -2.69900000 8.67500000 3.58700000 O -11.43500000 -3.87200000 -1.82300000 Mg -11.85100000 -2.24900000 -2.88500000 Mg -11.17600000 -5.42800000 -3.03100000 Mg -9.73700000 -3.56900000 -0.82900000 Mg -12.90000000 -4.23800000 -0.54700000 O -9.32900000 -6.07800000 -2.98900000 O -11.64600000 -4.93300000 -4.89500000 O -12.39900000 -6.90400000 -2.50800000 O -8.95200000 -1.85300000 -1.35300000 O -8.48600000 -5.03800000 -1.15100000 O -10.09900000 -3.48100000 1.12400000 O -14.37300000 -2.93000000 -0.77500000 O -13.62800000 -6.06000000 -0.80000000 O -12.27600000 -4.08000000 1.32600000 O -13.51400000 -1.39400000 -2.20600000 O -12.20000000 -2.73800000 -4.77500000 O -10.41900000 -0.91100000 -2.81200000 C -13.29200000 -6.97500000 -1.61300000 C -14.40800000 -1.84200000 -1.42700000 C -11.14300000 -3.74500000 1.79000000 C -9.32500000 -0.90200000 -2.13200000 C -12.04800000 -3.83800000 -5.38800000 C -8.41700000 -5.91100000 -2.09400000 H -11.06100000 -3.67500000 2.89100000 H -12.29300000 -3.84000000 -6.46700000 O 2.18100000 -12.79000000 -1.52800000 Mg 0.97000000 -12.94800000 -3.08700000 Mg 1.75000000 -11.10000000 -0.57700000 Mg 1.94200000 -14.33900000 -0.33300000 Mg 4.07300000 -12.65800000 -2.09700000 O 1.59000000 -11.47300000 1.37300000 O 0.04200000 -10.39000000 -1.20500000 O 3.21600000 -9.84200000 -0.90900000 O 0.50900000 -15.52800000 -1.01600000 O 1.48900000 -13.73600000 1.49600000 O 3.59800000 -15.42900000 -0.26800000 O 4.15900000 -12.42100000 -4.06900000 O 5.02800000 -11.17900000 -1.20500000 O 5.03300000 -14.33500000 -1.64200000 O 2.01600000 -12.70800000 -4.75400000 O -0.51400000 -11.66400000 -3.00500000 O 0.14200000 -14.75900000 -3.11700000 C 4.48700000 -10.04800000 -0.90600000 C 3.25000000 -12.49300000 -4.94900000 C 4.70100000 -15.29100000 -0.88000000 C -0.00700000 -15.59100000 -2.17300000 C -0.74000000 -10.70600000 -2.17600000 C 1.45500000 -12.56900000 1.99300000 H 3.56600000 -12.35400000 -6.00100000 H 5.44900000 -16.09400000 -0.73600000 H 1.29100000 -12.50400000 3.08600000 O 11.10600000 0.56300000 0.50200000 Mg 12.52100000 0.73600000 -0.85500000 Mg 9.33200000 0.21200000 -0.30800000 Mg 11.52000000 -0.96400000 1.69000000 Mg 10.95300000 2.25800000 1.51100000 O 8.68100000 -1.51900000 0.32600000 O 9.54000000 0.18900000 -2.29100000 O 8.05800000 1.61100000 0.19400000 O 13.43600000 -1.46200000 1.49700000 O 10.49400000 -2.57400000 1.19400000 O 11.19400000 -0.41200000 3.56900000 O 12.55400000 3.39200000 1.18900000 O 9.40900000 3.30300000 0.88100000 O 10.83400000 1.82600000 3.44400000 O 13.39400000 2.51300000 -0.72300000 O 11.75800000 0.49800000 -2.66600000 O 13.95800000 -0.59300000 -0.53100000 C 8.26700000 2.84300000 0.50200000 C 13.34500000 3.38300000 0.19900000 C 10.94700000 0.72800000 4.06700000 C 14.19800000 -1.29500000 0.49800000 C 10.56100000 0.29100000 -3.03400000 C 9.31500000 -2.58200000 0.67600000 H 14.06800000 4.21700000 0.13300000 H 10.81400000 0.76800000 5.16500000 H 10.39400000 0.19300000 -4.12400000 H 15.17600000 -1.81200000 0.52700000 H -0.65000000 -16.46800000 -2.37900000 H -0.47400000 13.78100000 0.06400000 H -15.31400000 -1.22000000 -1.29800000 H -13.83800000 -7.93400000 -1.52800000 H -1.19600000 10.03700000 -5.56600000 C 8.65500000 -3.82900000 0.51100000 C 8.08200000 -4.85300000 0.07000000 C 7.42200000 -5.96100000 -0.35100000 C 6.62500000 -6.86800000 0.30300000 C 5.95100000 -7.96200000 -0.14200000 C 5.33300000 -8.95100000 -0.59400000 C -8.50300000 0.25300000 -2.20900000 C -7.70000000 1.20200000 -2.34500000 C -6.83800000 2.25300000 -2.42000000 C -6.80400000 3.45100000 -1.75700000 C -5.93200000 4.49400000 -1.77000000 C -5.12600000 5.45100000 -1.78900000 C -1.94900000 -9.97400000 -2.30300000 C -2.90300000 -9.17900000 -2.46000000 C -3.96700000 -8.34500000 -2.58800000 C -5.23900000 -8.37400000 -2.08700000 C -6.29000000 -7.51400000 -2.12600000 C -7.25300000 -6.71500000 -2.16700000 C 2.12000000 7.18700000 -0.66200000 C 3.20800000 6.56800000 -0.66600000 C 4.37300000 5.86900000 -0.64100000 C 5.12700000 5.35700000 0.38000000 C 6.21500000 4.54100000 0.40000000 C 7.18000000 3.74500000 0.38000000 Li 5.84600000 4.87200000 -1.65500000 Li 3.65400000 6.34000000 1.39700000 Li 7.04100000 -7.31800000 -1.83700000 Li 7.23400000 -5.66400000 1.83900000 Li -5.22900000 3.16700000 -3.27200000 Li -8.55300000 2.65000000 -1.05800000 Li -4.77600000 -6.62300000 -3.33200000 Li -4.48000000 -10.16500000 -1.44800000 -- 0 1 H -4.18200000 -11.61400000 -2.73500000 H -4.91100000 -11.74300000 -2.58200000 H -10.17900000 2.51100000 -2.15000000 H -10.27200000 3.21400000 -1.88700000 H 3.76200000 8.30000000 1.37300000 H 4.24400000 8.15800000 1.93800000 H 9.07100000 -5.72200000 2.51500000 H 8.78100000 -6.29000000 2.92100000 H -6.11600000 -6.81100000 -4.75000000 H -5.48900000 -6.84300000 -5.17100000 H 7.68300000 -9.15700000 -2.07300000 H 8.23700000 -8.79800000 -2.44100000 H 7.62200000 5.70800000 -1.63700000 H 7.31300000 6.09400000 -2.20800000 H -5.64600000 4.11400000 -4.96600000 H -5.54500000 4.68300000 -4.47800000 units angstrom } set { basis sto-3g scf_type DF freeze_core True } energy('sapt0')