%chk=000082199.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000082199 0 1 O 1.085500 0.1159000 8.3999999E-02 O 2.404000 -1.733700 -0.2895000 C -3.869900 0.2560000 0.2874000 C -2.603800 -0.6029000 0.1122000 C -1.305400 0.1997000 0.2063000 C -3.969600 1.369300 -0.7568000 C -5.114000 -0.6326000 0.2137000 C -8.4100001E-02 -0.6869000 6.0000003E-04 C 2.274200 -0.5358000 -8.0300003E-02 C 3.403100 0.4290000 3.3799998E-02 C 3.134800 1.880000 0.2923000 C 4.645200 -5.7900000E-02 -0.1037000 H -3.844200 0.7200000 1.281400 H -2.593700 -1.387800 0.8793000 H -2.641900 -1.113700 -0.8588000 H -1.278000 0.9948000 -0.5470000 H -1.237700 0.7009000 1.179500 H -3.890100 0.9696000 -1.773300 H -3.185300 2.119500 -0.6195000 H -4.928500 1.892800 -0.6749000 H -5.077400 -1.417100 0.9771000 H -5.200800 -1.115700 -0.7656000 H -6.022800 -4.5499999E-02 0.3839000 H -0.1283000 -1.164300 -0.9854000 H -5.0000001E-02 -1.463200 0.7741000 H 2.526400 2.307500 -0.5115000 H 2.604200 2.009600 1.241300 H 4.060100 2.463300 0.3503000 H 5.509700 0.5946000 -3.0900000E-02 H 4.845500 -1.107600 -0.2909000 %chk=000082199-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000082199 0 1 O 1.121666 0.145424 0.092465 O 2.427405 -1.755366 -0.245353 C -3.909716 0.255649 0.274286 C -2.632240 -0.587794 0.013293 C -1.309239 0.205044 0.135561 C -4.078478 1.396125 -0.758289 C -5.159245 -0.657066 0.283546 C -0.095568 -0.713456 -0.005463 C 2.347336 -0.516308 -0.048949 C 3.497588 0.443134 0.065011 C 3.206708 1.910139 0.305066 C 4.751741 -0.072996 -0.057049 H -3.810533 0.714834 1.281599 H -2.615551 -1.433434 0.732858 H -2.703194 -1.040389 -0.998700 H -1.253409 0.988979 -0.641974 H -1.267230 0.716827 1.116861 H -4.135372 0.985207 -1.785291 H -3.239778 2.114570 -0.725141 H -5.009822 1.961939 -0.569871 H -5.068859 -1.456211 1.043119 H -5.296103 -1.141527 -0.702781 H -6.075548 -0.078823 0.504461 H -0.076909 -1.238076 -0.979205 H -0.049398 -1.476954 0.793567 H 2.584650 2.328218 -0.506599 H 2.635648 2.052521 1.239995 H 4.143599 2.489168 0.368836 H 5.640469 0.563334 0.013845 H 4.896583 -1.144911 -0.230603