'HOMO (t_CN)','LUMO (t_CN)','gap (t_CN)','HOMO (c_CN)','LUMO (c_CN)','gap (c_CN)','HOMO (p_BO)','LUMO (p-BO)','gap (p_BO)','HOMO (m_BO)','LUMO (m_BO)','gap (m_BO)','N (HL)'
-6.27,-2.08,4.19,-6.27,-2.08,4.19,-6.5,-1.41,5.09,-6.5,-1.41,5.09,1
-6.13,-2.53,3.57,-6.03,-2.53,3.5,-6.46,-1.96,4.5,-6.39,-1.56,4.82,2
-5.87,-2.74,3.13,-5.95,-2.68,3.27,-6.19,-1.99,4.19,-6.35,-1.63,4.72,3
-5.93,-2.82,3.11,-5.9,-2.79,3.11,-6.22,-2.07,4.15,-6.34,-1.66,4.68,4
-5.87,-2.86,3.01,-5.88,-2.86,3.02,-6.16,-2.08,4.07,-6.33,-1.68,4.65,5