%chk=000041971.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000041971 0 1 C -2.500700 -0.3077000 0.2560000 C -1.139400 3.0700000E-02 -0.3593000 C -3.603200 0.5845000 -0.3160000 C 9.3000000E-03 -0.8171000 0.1973000 C -4.950800 0.2818000 0.3195000 C 1.339900 -0.4977000 -0.4231000 C 2.407500 -9.0300001E-02 0.2797000 C 3.685100 0.2047000 -0.3255000 C 4.752200 0.6111000 0.3714000 H -2.738900 -1.360700 6.4199999E-02 H -2.450200 -0.1799000 1.344100 H -0.9186000 1.091700 -0.1845000 H -1.194300 -0.1026000 -1.447500 H -3.674500 0.4392000 -1.400200 H -3.356000 1.638700 -0.1454000 H 5.2299999E-02 -0.6926000 1.286400 H -0.2049000 -1.877000 1.3100000E-02 H -5.724100 0.9296000 -0.1051000 H -4.921600 0.4511000 1.400600 H -5.243300 -0.7580000 0.1419000 H 1.415600 -0.6258000 -1.500700 H 2.326800 2.9400000E-02 1.357100 H 3.777200 8.8600002E-02 -1.402000 H 5.688800 0.8192000 -0.1351000 H 4.720200 0.7449000 1.447600 %chk=000041971-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000041971 0 1 C -2.519339 -0.275762 0.254253 C -1.136302 0.072184 -0.340358 C -3.663088 0.593008 -0.317408 C 0.006119 -0.810194 0.235391 C -5.041847 0.245355 0.284535 C 1.350854 -0.509372 -0.382709 C 2.463005 -0.101025 0.299632 C 3.749097 0.194738 -0.334597 C 4.871473 0.596765 0.330327 H -2.743033 -1.346755 0.064158 H -2.486142 -0.156960 1.357567 H -0.903055 1.138434 -0.147586 H -1.169219 -0.046702 -1.443322 H -3.697189 0.470415 -1.419358 H -3.435337 1.662466 -0.131375 H 0.057141 -0.679772 1.334352 H -0.258753 -1.874418 0.053438 H -5.841217 0.880344 -0.139801 H -5.042643 0.388751 1.381653 H -5.306955 -0.810282 0.085057 H 1.417154 -0.621865 -1.477863 H 2.408232 0.017807 1.392742 H 3.790557 0.077019 -1.428555 H 5.809077 0.804957 -0.195547 H 4.875807 0.726663 1.419876