Mark 45 decrement z matriz
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This document contains the coordinates for 10 carbon atoms and 9 hydrogen atoms that make up two organic molecules, as well as information about the computational method used to optimize the geometry and calculate frequencies.
Mark 45 decrement z matriz
- 1. Mark 45 decrement z matriz %NProcShared=2 #n RHF/6-31G(d) Opt Freqgfoldprint pop=full Title 0 1 C -6.33290 0.18750 1.50950 C -5.38240 -0.77170 1.50780 C -4.10710 -0.12540 1.50660 C -4.27340 1.20300 1.50740 C -5.70190 1.57030 1.50940 H -7.39840 0.01230 1.51070 H -5.54230 -1.83810 1.50750 H -5.98310 2.12800 2.40710 H -5.98530 2.12890 0.61290 C -0.29250 2.45860 1.50370 C -1.26130 3.47620 1.50510 C -2.62500 3.16890 1.50640 C -2.98440 1.83570 1.50620 C -2.01050 0.81100 1.50480 C -0.66010 1.11230 1.50350 H -0.93750 4.51340 1.50520 C -2.67760 -0.54930 1.50480 H -2.42060 -1.11210 2.40650 H -2.42250 -1.11120 0.60190