%chk=000124958.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124958 0 1 C 0.1127000 1.217200 -0.1647000 C -0.6307000 6.1500002E-02 -6.9799997E-02 C -0.4285000 2.627500 -0.3471000 C 1.595900 1.157300 -0.1491000 C -2.085100 8.0499999E-02 -8.1500001E-02 C 0.1146000 -1.233000 5.1700000E-02 C -0.7019000 3.328500 0.9782000 C 2.271200 1.026100 -1.345700 C 2.254600 1.234600 1.061300 C -2.790800 0.1976000 1.116100 C 0.4478000 -1.905300 -1.098700 C -2.774300 -1.8400000E-02 -1.290200 C 0.4313000 -1.689500 1.307700 C 3.664800 0.9694000 -1.331300 C 3.648300 1.178100 1.075600 C -4.185500 0.2156000 1.105000 C 1.141300 -3.110300 -0.9858000 C -4.169000 -5.0000002E-04 -1.301300 C 1.124800 -2.894400 1.420400 C 4.353400 1.045600 -0.1207000 C -4.874500 0.1166000 -0.1035000 C 1.479800 -3.604800 0.2735000 H -1.356700 2.601300 -0.9298000 H 0.2662000 3.233900 -0.9420000 H -1.410200 2.769100 1.595800 H -1.128200 4.320200 0.7948000 H 0.2187000 3.464600 1.554400 H 1.745300 0.9686000 -2.294700 H 1.716800 1.337400 1.999600 H -2.269700 0.2752000 2.067300 H 0.1878000 -1.529400 -2.083800 H -2.239900 -0.1085000 -2.233000 H 0.1583000 -1.144500 2.206500 H 4.213800 0.8665000 -2.262700 H 4.184400 1.236800 2.018300 H -4.734800 0.3067000 2.037500 H 1.417800 -3.663300 -1.878700 H -4.705800 -7.7000000E-02 -2.242300 H 1.388400 -3.279600 2.401100 H 5.438400 1.001300 -0.1095000 H -5.960500 0.1308000 -0.1123000 H 2.019900 -4.542900 0.3614000 %chk=000124958-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000124958 0 1 C 0.138756 1.209100 -0.274220 C -0.588998 0.049074 -0.067277 C -0.517734 2.552229 -0.591804 C 1.636641 1.247583 -0.190726 C -2.085893 0.052554 0.064821 C 0.042984 -1.313279 -0.007143 C -0.275878 3.643670 0.483446 C 2.417789 1.909028 -1.178935 C 2.315111 0.682352 0.925971 C -2.751880 0.895946 0.996665 C 1.022083 -1.722978 -0.954147 C -2.876055 -0.838382 -0.714231 C -0.372806 -2.253696 0.976656 C 3.824222 1.978194 -1.071521 C 3.718623 0.759054 1.040888 C -4.157460 0.865883 1.131150 C 1.583595 -3.016193 -0.903902 C -4.281409 -0.863501 -0.588862 C 0.194197 -3.545091 1.034054 C 4.483276 1.403642 0.039921 C -4.930479 -0.010442 0.334881 C 1.177715 -3.933088 0.094373 H -1.599986 2.419673 -0.754669 H -0.102223 2.923766 -1.551633 H -0.715586 3.351763 1.454650 H -0.734735 4.600920 0.175092 H 0.803624 3.814985 0.641748 H 1.925969 2.356185 -2.050720 H 1.729795 0.184318 1.706081 H -2.158559 1.561755 1.633229 H 1.335895 -1.021829 -1.734371 H -2.379244 -1.509187 -1.424174 H -1.143302 -1.964813 1.700669 H 4.404643 2.480503 -1.854009 H 4.216183 0.317636 1.911930 H -4.647205 1.519999 1.861628 H 2.334186 -3.310638 -1.646244 H -4.870028 -1.549960 -1.208126 H -0.133390 -4.248960 1.807775 H 5.574095 1.461215 0.127102 H -6.021141 -0.034588 0.438246 H 1.614810 -4.937301 0.133741