%chk=73_p_2COOMe_2.chk %Mem=24000MB %NProc=8 #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput coments 0 2 C 1.86488200 3.48588600 0.36249400 C 0.94674300 2.98533500 1.21896200 H 2.06066100 4.52326400 0.10174200 H 0.21997700 3.52216900 1.82359400 B 2.08283800 1.19814500 0.33548100 N 1.04045100 1.59423300 1.23474100 H 0.41447800 1.02318800 1.79395200 N 2.58435800 2.42966700 -0.20025800 H 3.32955400 2.60049100 -0.85713800 N 2.49168400 -0.15604600 0.00471900 C 1.96494200 -1.26150800 0.68966100 C 3.38853100 -0.42152700 -1.03868200 C 2.29293300 -2.54230600 0.34856900 H 1.28137400 -1.03664100 1.50813300 C 3.73141400 -1.69407200 -1.39273600 H 3.78426600 0.44893400 -1.56142500 C 3.19208900 -2.81470700 -0.71283000 H 1.84934300 -3.35659500 0.92548800 H 4.43337100 -1.82817700 -2.21825000 H 3.45703900 -3.83394300 -0.99091100 H -1.08318346 0.91451408 -1.29857467 C -1.69881646 0.00964508 -1.39216467 H -1.04462046 -0.80880292 -1.72672367 C -2.18634946 -0.31944192 -0.00074967 C -2.80261546 0.21048508 -2.40209867 O -1.58079646 -0.06187492 1.01289133 O -3.34944946 -0.96192192 -0.00598167 O -2.98947146 -0.46227392 -3.37773767 O -3.55219846 1.26954208 -2.07156467 C -3.88426246 -1.33542992 1.25654833 C -4.65055046 1.55015208 -2.92365867 H -4.83319846 -1.84094192 1.04679233 H -3.19787746 -2.01455192 1.78202333 H -4.05372546 -0.44762192 1.88231333 H -5.13716546 2.44281608 -2.51402167 H -4.30970946 1.74073408 -3.95197867 H -5.35552946 0.70578708 -2.93921667 --Link1-- %chk=73_p_2COOMe_2.chk %Mem=24000MB %NProc=8 #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput