%mem=1Gb # blyp/aug-cc-pVDZ TD=(NStates=8,Singlets) SCRF(PCM,Solvent=water,Read) GFInput IOP(6/7=3) Vertical excitation energies computation 0 1 C N,1,B1 C,2,B2,1,A1 N,3,B3,2,A2,1,D1 C,4,B4,3,A3,2,D2 C,5,B5,4,A4,3,D3 N,1,B6,6,A5,5,D4 H,7,B7,1,A6,6,D5 H,7,B8,1,A7,6,D6 O,3,B9,2,A8,1,D7 H,4,B10,5,A9,6,D8 H,5,B11,6,A10,1,D9 H,6,B12,5,A11,4,D10 B1= 1.28784 B2= 1.38571 B3= 1.38359 B4= 1.37023 B5= 1.34333 B6= 1.35919 B7= 0.99374 B8= 1.25179 B9= 1.19421 B10= 0.99528 B11= 1.07211 B12= 1.07186 A1= 120.29260 A2= 116.73420 A3= 123.65140 A4= 119.47460 A5= 118.03540 A6= 120.97380 A7= 118.88460 A8= 123.31100 A9= 120.98200 A10= 123.94200 A11= 122.22420 D1= 0.00000 D2= 0.00000 D3= 0.00000 D4= 180.00000 D5= 0.00000 D6= 180.00000 D7= 180.00000 D8= 180.00000 D9= 180.00000 D10= 180.00000 SPHEREONH=9