%nprocshared=8 %mem=22000MB %chk=sing.chk #p guess=read freq=projected scrf=(solvent=water,SMD) nosymm bp86/genecp empiricaldispersion=gd3 scf=xqc Second State 1 1 6 -0.23093612 0.58306965 0.12040537 1 -0.22546063 1.67025005 -0.03459026 6 0.93806747 -0.10298085 0.66904795 1 1.81020122 0.46526688 1.02338652 6 -2.44243085 0.41518869 -0.79191352 1 -3.30557545 0.27315600 -0.11819977 1 -2.31716278 1.48720005 -1.02119015 1 -2.65621845 -0.14787722 -1.71718531 6 1.98766730 -2.19072172 1.22863226 1 2.77501173 -1.56540042 1.68782134 1 1.60470190 -2.91485636 1.96820545 1 2.41278769 -2.76796545 0.38794328 7 -1.26008041 -0.16151411 -0.16992445 7 0.87899530 -1.40024714 0.72507714 7 -1.15177642 -3.86666929 0.13966964 6 -0.99893593 -4.59003592 1.26172007 6 -0.87929796 -4.00770845 2.58355567 6 -0.96542017 -6.03315857 1.17132185 6 -0.69600283 -4.80657661 3.70695591 1 -0.92142588 -2.91467322 2.65994613 6 -0.84418422 -6.82377139 2.31144799 1 -1.05762846 -6.48479366 0.17781169 6 -0.69514297 -6.21538877 3.57735504 1 -0.58167734 -4.35192659 4.69657021 1 -0.84120188 -7.91556042 2.22827729 1 -0.58254765 -6.84011871 4.46973951 29 -0.86740877 -2.09771958 -0.03996690 7 -0.35230617 -2.04665031 -2.29397823 1 -1.24932019 -1.98975843 -2.78948472 1 0.05531046 -2.98084932 -2.41390300 6 0.54062278 -0.99499649 -2.63147684 6 0.05083792 0.21992570 -3.15627831 6 1.91580458 -1.12352403 -2.34138158 6 0.92873846 1.29107492 -3.38207340 1 -1.01670332 0.32130987 -3.38014820 6 2.78508534 -0.04811648 -2.57407850 1 2.28923442 -2.06350916 -1.91886054 6 2.29913046 1.16557091 -3.09312447 1 0.53426185 2.22858046 -3.78956049 1 3.84986133 -0.16083974 -2.34210700 1 2.98087853 2.00416155 -3.26927724 -H -C -N 0 6-31g(d) **** -Cu 0 sdd **** Cu 0 sdd