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1.0646e+07 -0.660236 0.751058 </atom></molecule><molecule> 1 1<atom> gauss 2048 25600 12320 0 -257.981 2282.61 0 0 1.05537e+07 -0.112305 0.993674 </atom></molecule><molecule> 1 1<atom> gauss 512 26880 8064 0 -2253.19 443.616 0 0 1.05473e+07 -0.981164 0.193175 </atom></molecule><molecule> 1 1<atom> gauss 2048 11264 2016 0 -1975.37 -1166.4 0 0 1.05251e+07 -0.861093 -0.508448 </atom></molecule><molecule> 1 1<atom> gauss 2048 17408 1536 0 -1682.26 1556.68 0 0 1.05065e+07 -0.733972 0.67918 </atom></molecule><molecule> 1 1<atom> gauss 1024 3328 1472 0 -2146.33 803.028 0 0 1.05032e+07 -0.936594 0.350417 </atom></molecule><molecule> 1 1<atom> gauss 2048 5632 5536 0 -1028.72 2045.77 0 0 1.04869e+07 -0.449251 0.893405 </atom></molecule><molecule> 1 1<atom> gauss 128 10720 2048 0 -2288.43 57.2233 0 0 1.04804e+07 -0.999687 0.0249977 </atom></molecule><molecule> 1 1<atom> gauss 1024 26368 18624 0 -2239.99 -430.652 0 -0 1.04061e+07 -0.982016 -0.188798 </atom></molecule><molecule> 1 1<atom> gauss 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