%chk=7fos_tBuI_TS.chk %Mem=24000MB %NProc=12 #p wB97xD/Def2SVP opt=(ts,noeigentest,calcfc) freq SCF=(XQC) gfprint gfinput nosymm coments 0 2 B -0.97416000 0.07872400 -0.21291800 P -1.25511800 -0.39357300 1.61043300 O -0.58134000 0.60645000 2.66093900 O -2.79638400 -0.38094300 2.07998400 O -0.84185600 -1.87413800 2.07905300 C -3.87132600 -0.65156800 1.18458400 H -3.77526000 -1.65368500 0.74181600 H -4.79190700 -0.59763200 1.77765900 H -3.90588900 0.09889200 0.38087900 C -0.93380800 0.62484900 4.03753800 H -0.20261600 1.26736600 4.54168400 H -1.94507300 1.03478500 4.17009000 H -0.89647900 -0.38626900 4.47142800 C 0.48146100 -2.29933000 2.37754800 H 0.39651300 -3.11314900 3.10900400 H 0.98524900 -2.66586800 1.47251900 H 1.07811500 -1.47759300 2.80043300 I 1.75786400 0.13591900 -0.18813500 C 4.16887000 0.09703600 -0.34212700 C 4.62055800 1.48063600 0.07482300 C 4.61959600 -0.98942400 0.61149900 C 4.47401900 -0.21917900 -1.79093200 H 4.32015600 1.71548100 1.10670600 H 5.72487500 1.53854500 0.02400600 H 4.21413000 2.25941700 -0.58711400 H 4.31898600 -0.77321900 1.64779300 H 4.21463000 -1.97305100 0.32980100 H 5.72375500 -1.06412200 0.59224600 H 4.06545800 -1.19534500 -2.09144000 H 4.07000300 0.54644000 -2.46955500 H 5.57068900 -0.25318100 -1.93749200 C -1.39682000 -1.12273300 -1.16877000 C -2.44651300 -0.94127500 -2.09150300 C -0.81855200 -2.40520300 -1.11840800 C -2.89642600 -1.97681800 -2.90848100 H -2.92660900 0.03787900 -2.16801900 C -1.26348800 -3.44640300 -1.92878200 H 0.02088500 -2.58771600 -0.44488600 C -2.30831500 -3.23828100 -2.82895100 H -3.71275200 -1.79648200 -3.61237000 H -0.78471200 -4.42652600 -1.86374000 H -2.65717900 -4.05254600 -3.46833700 C -1.35176100 1.57369000 -0.57259800 C -1.09538200 2.03452800 -1.88100400 C -1.94356300 2.49238900 0.31439700 C -1.41213900 3.32890400 -2.27931200 H -0.62413000 1.35708100 -2.59831400 C -2.26659300 3.79100400 -0.07830100 H -2.16386000 2.19874600 1.34413700 C -2.00255700 4.21667000 -1.37796500 H -1.19344800 3.65119900 -3.30032400 H -2.72740200 4.47476300 0.63891900 H -2.25224500 5.23414000 -1.68759300 --Link1-- %chk=7fos_tBuI_TS.chk %Mem=24000MB %NProc=12 #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput