%chk=000108797.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108797 0 1 C 3.189600 0.1002000 -2.7000001E-03 C 4.665700 0.5012000 -3.5100002E-02 C 2.280500 1.330900 1.4100000E-02 C 5.576300 -0.7276000 -1.7899999E-02 C 0.8231000 0.9468000 1.0200000E-02 C 7.051200 -0.3269000 -1.6400000E-02 C 0.1626000 0.7892000 -1.199300 C 0.1652000 0.7572000 1.216500 C 7.959200 -1.545200 3.4899998E-02 C -1.859400 0.2407000 3.5000001E-03 C -1.186300 0.4342000 -1.202600 C -1.183700 0.4021000 1.213100 C -3.258500 -0.1284000 3.9999999E-04 C -4.240900 0.8619000 1.3800000E-02 C -3.625000 -1.474200 -1.6600000E-02 C -5.589600 0.5065000 1.0500000E-02 C -4.973900 -1.829500 -2.0000000E-02 C -5.956200 -0.8391000 -6.3999998E-03 H 2.995000 -0.5171000 0.8835000 H 2.961600 -0.5223000 -0.8772000 H 4.866700 1.096000 -0.9343000 H 4.891100 1.136400 0.8303000 H 2.496400 1.947500 0.8963000 H 2.492900 1.968900 -0.8536000 H 5.365400 -1.354900 -0.8925000 H 5.360200 -1.331300 0.8722000 H 7.279500 0.2559000 -0.9164000 H 7.262800 0.3138000 0.8476000 H 0.6787000 0.9358000 -2.143900 H 0.6833000 0.8788000 2.163500 H 9.009000 -1.235800 3.3700000E-02 H 7.778800 -2.131400 0.9417000 H 7.795000 -2.193400 -0.8319000 H -1.697900 0.3117000 -2.154400 H -1.693400 0.2544000 2.162400 H -3.972500 1.915700 2.7000001E-02 H -2.872200 -2.258900 -2.7400000E-02 H -6.354500 1.277400 2.1100000E-02 H -5.259600 -2.877300 -3.3100002E-02 H -7.006400 -1.115900 -9.1000004E-03 %chk=000108797-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000108797 0 1 C 3.243873 0.167415 0.005630 C 4.748585 0.518417 0.002490 C 2.326826 1.422006 0.010537 C 5.659701 -0.730154 -0.000260 C 0.848742 1.061167 0.007570 C 7.167911 -0.389267 -0.004431 C 0.146433 0.864601 -1.209133 C 0.142230 0.859608 1.220980 C 8.067460 -1.644613 -0.005973 C -1.912691 0.271211 0.001084 C -1.211256 0.476124 -1.215281 C -1.215456 0.471005 1.220698 C -3.357415 -0.142001 -0.002079 C -4.389452 0.832882 -0.004930 C -3.717119 -1.515492 -0.001890 C -5.748775 0.444669 -0.007482 C -5.076062 -1.905014 -0.004452 C -6.096600 -0.926033 -0.007219 H 3.008036 -0.456386 0.891630 H 3.003527 -0.452185 -0.882092 H 4.978882 1.143186 -0.886215 H 4.983304 1.142752 0.890294 H 2.567841 2.032569 0.903294 H 2.569706 2.040133 -0.876527 H 5.423975 -1.354069 -0.887730 H 5.428751 -1.354839 0.887899 H 7.398101 0.233602 -0.893015 H 7.402836 0.235055 0.881890 H 0.667926 1.020943 -2.162094 H 0.660313 1.011981 2.176432 H 9.140062 -1.376062 -0.010998 H 7.878269 -2.267395 0.888806 H 7.870739 -2.270417 -0.897003 H -1.736339 0.332556 -2.166748 H -1.743871 0.323403 2.169697 H -4.121291 1.895673 -0.005063 H -2.927377 -2.275562 0.000238 H -6.533367 1.210010 -0.009620 H -5.336962 -2.969624 -0.004295 H -7.150195 -1.227852 -0.009139