1echo 2start o3-broken-symm 3 4title o3-broken-symm 5 6memory 1000 mb noverify 7 8geometry o3 noautoz nocenter 9O1 0.00000000 0.00000000 -0.50788777 10O2 0.00000000 -1.07796685 0.25394388 11O3 -0.00000000 1.07796685 0.25394388 12end 13 14geometry o noautoz nocenter 15O 0.00000000 0.00000000 0 16end 17 18basis 19* library 6-31G* 20end 21 22set geometry o 23dft 24xc b3lyp 25vectors input atomic output osingl.mos 26odft 27mult 1 28end 29 30task dft 31 32dft 33mult 3 34vectors input atomic output oup.mos 35end 36 37task dft 38 39dft 40mult -3 41vectors input atomic output odown.mos 42end 43 44task dft 45 46set geometry o3 47 48dft 49mult 1 50odft 51xc b3lyp 52mulliken 53vectors input fragment osingl.mos oup.mos odown.mos 54end 55 56task dft 57