%chk=000117754.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000117754 0 1 C -1.259300 0.3793000 0.1418000 C 3.4000000E-03 -0.4834000 5.6400001E-02 C -2.556000 -0.4299000 7.5800002E-02 C 1.332600 0.2775000 3.1800002E-02 C -3.781100 0.4872000 7.4000001E-02 C 2.559000 -0.6377000 2.7000001E-03 C -5.078300 -0.3168000 -2.8999999E-02 C 3.856700 0.1784000 -2.9100001E-02 C -6.299900 0.6012000 -6.3699998E-02 C 5.110300 -0.6983000 -2.6500000E-02 C -7.593400 -0.1948000 -0.1325000 C 6.347000 9.5799997E-02 -4.3699998E-02 C 7.358900 0.7416000 -5.7999998E-02 H -1.236200 0.9586000 1.072900 H -1.244100 1.104100 -0.6817000 H -5.5300001E-02 -1.105400 -0.8460000 H 8.8000000E-03 -1.176000 0.9078000 H -2.604900 -1.115800 0.9300000 H -2.557200 -1.043700 -0.8331000 H 1.386100 0.9253000 0.9155000 H 1.348200 0.9367000 -0.8448000 H -3.791600 1.088900 0.9909000 H -3.715900 1.184700 -0.7700000 H 2.512700 -1.288800 -0.8784000 H 2.553700 -1.286200 0.8868000 H -5.058900 -0.9344000 -0.9353000 H -5.154100 -1.000000 0.8257000 H 3.860900 0.8196000 -0.9202000 H 3.882800 0.8515000 0.8378000 H -6.240100 1.268200 -0.9317000 H -6.315800 1.234000 0.8313000 H 5.093500 -1.362700 -0.8986000 H 5.105500 -1.340800 0.8620000 H -7.699400 -0.8475000 0.7400000 H -8.453700 0.4814000 -0.1574000 H -7.623800 -0.8166000 -1.032900 H 8.256400 1.314700 -7.0600003E-02 %chk=000117754-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000117754 0 1 C -1.236100 0.396464 0.004155 C 0.023538 -0.498511 -0.011943 C -2.557192 -0.405150 -0.015945 C 1.343920 0.304290 0.009729 C -3.816963 0.489878 0.000411 C 2.603002 -0.591407 -0.005635 C -5.138553 -0.310993 -0.017833 C 3.918539 0.217020 0.019299 C -6.398052 0.585266 -0.002239 C 5.172175 -0.702573 0.001749 C -7.713800 -0.222752 -0.020337 C 6.444808 0.040813 0.029708 C 7.505087 0.671763 0.053784 H -1.214415 1.043562 0.906077 H -1.210231 1.081290 -0.869321 H 0.002115 -1.144795 -0.914438 H -0.003037 -1.183798 0.861148 H -2.583348 -1.090137 0.857480 H -2.579388 -1.052238 -0.917908 H 1.364761 0.950616 0.911917 H 1.370652 0.989273 -0.863296 H -3.794164 1.137996 0.901691 H -3.791680 1.174008 -0.873749 H 2.582839 -1.236286 -0.909320 H 2.575113 -1.277391 0.867019 H -5.162909 -0.959476 -0.918815 H -5.166106 -0.994693 0.856612 H 3.959068 0.899345 -0.851835 H 3.951918 0.855532 0.923325 H -6.369522 1.267894 -0.876148 H -6.372286 1.232950 0.897999 H 5.142475 -1.341937 -0.903549 H 5.131992 -1.389905 0.870754 H -7.780375 -0.890422 0.859533 H -8.598402 0.440453 -0.009165 H -7.776999 -0.855759 -0.925725 H 8.429018 1.219709 0.074813