%chk=000081458.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000081458 0 1 C 0.6794000 -0.4572000 1.9999999E-04 C -0.7202000 -0.3718000 1.9999999E-04 C 1.094100 -1.895600 0.000000 C 1.469000 0.6784000 0.000000 C -1.361600 0.8543000 0.000000 C -1.275700 -1.714300 0.000000 C -0.2511000 -2.581400 -9.9999997E-05 C 0.8302000 1.920500 0.000000 C -0.5727000 2.007800 -9.9999997E-05 C 2.955100 0.5933000 -9.9999997E-05 C -2.846400 0.9660000 -9.9999997E-05 H 1.659600 -2.150400 -0.9009000 H 1.659600 -2.150700 0.9007000 H -2.325400 -1.955900 -9.9999997E-05 H -0.3676000 -3.656200 -3.0000001E-04 H 1.410600 2.840200 -1.9999999E-04 H -1.033700 2.992800 -1.9999999E-04 H 3.306800 6.4400002E-02 0.8917000 H 3.306600 6.4700000E-02 -0.8922000 H 3.419400 1.585300 0.000000 H -3.265700 0.4893000 0.8921000 H -3.176200 2.010500 3.9999999E-04 H -3.265500 0.4900000 -0.8927000 %chk=000081458-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000081458 0 1 C 0.687444 -0.455165 -0.000005 C -0.737631 -0.366286 -0.000001 C 1.088668 -1.924402 -0.000068 C 1.502220 0.697342 -0.000058 C -1.402108 0.888419 -0.000026 C -1.284393 -1.738454 -0.000048 C -0.254354 -2.645131 -0.000088 C 0.835918 1.951891 -0.000096 C -0.579154 2.042576 -0.000070 C 3.018085 0.601920 -0.000099 C -2.917479 0.991199 -0.000053 H 1.694841 -2.190976 -0.889759 H 1.694862 -2.191093 0.889573 H -2.350821 -1.980252 -0.000034 H -0.352197 -3.734208 -0.000115 H 1.430960 2.873443 -0.000133 H -1.049023 3.033744 -0.000084 H 3.389674 0.057752 0.889684 H 3.389638 0.058094 -0.890111 H 3.484037 1.602704 0.000076 H -3.357783 0.502386 0.890115 H -3.245115 2.045304 0.000412 H -3.357690 0.503193 -0.890711