%nprocshared=64 %mem=880000MB %NoSave %Chk=chk.chk %rwf=/scratch2/pbs.544494.ax4-login/rwf # nmr(spinspin,mixed) b3lyp scrf=(cpcm,solvent=chloroform) def2tzvpp empiricaldispersion=gd3bj integral=(acc2e=14,grid=ultrafine) scf=conver=10 4c 0 1 C -1.74855400 -0.62651000 -0.55333100 C -2.51674300 -1.67535400 0.17324000 C -2.70184700 -0.20811100 0.55399500 H -2.12543900 -0.37887800 -1.53833600 H -3.34898100 -2.07825100 -0.38958400 H -2.26777900 0.09284300 1.49781300 C -3.94201400 0.48566400 0.16667100 H -4.32387500 1.22164000 0.89542100 O -4.53622900 0.28431200 -0.87106100 C -1.90926400 -2.61055300 1.18505600 H -2.66452600 -2.92266200 1.90650300 H -1.51779800 -3.50789200 0.70402000 H -1.09386000 -2.14065100 1.73371500 C -0.27824300 -0.45840500 -0.40983900 C 0.34634500 0.75276200 -0.09025700 C 0.55826800 -1.56188000 -0.60034900 C 1.71443300 0.87535600 0.07425500 C 1.93333500 -1.46966200 -0.47642400 H 0.11180000 -2.51170700 -0.85102700 C 2.49225400 -0.24753800 -0.13289600 H 2.15867500 1.81967700 0.34121400 H 2.56743700 -2.32698200 -0.63572200 N -0.43745800 1.98605500 0.07723900 O -0.09587000 2.75479400 0.96257400 O -1.36780800 2.17473100 -0.68907200 N 3.94989300 -0.13467700 0.01398600 O 4.61775100 -1.14128900 -0.16630300 O 4.41084200 0.95727700 0.30844700