%chk=000085820.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000085820 0 1 C -0.7391000 0.6358000 0.7451000 C -1.455900 1.428400 -0.3697000 C -2.192600 0.5247000 -1.357800 C -3.188200 -0.3948000 -0.6480000 C -1.555400 -0.5330000 1.241800 C 0.6740000 0.2442000 0.3353000 C -2.658500 -0.9803000 0.6256000 C 1.711100 1.165500 0.4569000 C 0.9229000 -1.033400 -0.1597000 C 3.005700 0.8069000 8.1100002E-02 C 2.217300 -1.392100 -0.5354000 C 3.258700 -0.4718000 -0.4151000 H -0.6381000 1.314700 1.604500 H -0.7580000 2.077900 -0.9115000 H -2.196100 2.093500 9.6299998E-02 H -1.464100 -8.1799999E-02 -1.910100 H -2.720200 1.133300 -2.101000 H -3.472400 -1.204500 -1.329800 H -4.103200 0.1629000 -0.4153000 H -1.239200 -1.013800 2.164300 H -3.209600 -1.807500 1.063700 H 1.525800 2.165100 0.8405000 H 0.1361000 -1.770900 -0.2855000 H 3.816400 1.523600 0.1741000 H 2.414200 -2.386300 -0.9260000 H 4.266500 -0.7507000 -0.7089000 %chk=000085820-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000085820 0 1 C -0.755532 0.667776 0.799215 C -1.493253 1.443526 -0.340109 C -2.129671 0.478828 -1.364804 C -3.195641 -0.413102 -0.684155 C -1.609103 -0.490511 1.296428 C 0.657963 0.236145 0.372223 C -2.709610 -0.957529 0.648161 C 1.735468 1.153359 0.492328 C 0.921651 -1.041948 -0.183280 C 3.036580 0.809743 0.064651 C 2.223094 -1.391145 -0.612350 C 3.285633 -0.466839 -0.492765 H -0.626453 1.376383 1.644952 H -0.785614 2.131973 -0.839217 H -2.292202 2.063483 0.114310 H -1.338112 -0.158522 -1.804437 H -2.584702 1.049120 -2.196868 H -3.474933 -1.254847 -1.349713 H -4.131105 0.165884 -0.525386 H -1.296818 -0.957025 2.241539 H -3.291784 -1.774670 1.098483 H 1.551440 2.143900 0.929091 H 0.103219 -1.766749 -0.263236 H 3.854907 1.531685 0.169274 H 2.407591 -2.385053 -1.036765 H 4.295088 -0.738268 -0.822168