%chk=000067877.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000067877 1 1 F -1.928700 2.350200 1.066500 O 2.169000 0.4875000 -0.1231000 O 2.532500 -1.709800 0.4587000 N -1.790300 8.6000003E-03 -0.4693000 C -2.591500 1.169300 -0.8466000 C -0.4632000 0.1507000 -0.3485000 C 0.3227000 -0.9352000 9.7000003E-03 C -2.408800 -1.160800 -0.2557000 C -0.2931000 -2.162200 0.2378000 C -3.029200 1.907000 0.4017000 C -1.673300 -2.280900 0.1047000 C 1.762300 -0.7919000 0.1436000 C 3.571900 0.7554000 -2.5400000E-02 C 3.819800 2.212200 -0.3542000 H -3.452500 0.8293000 -1.432200 H -1.982200 1.812600 -1.491200 H -7.5300001E-02 1.142900 -0.5420000 H -3.485700 -1.188500 -0.3707000 H 0.2851000 -3.037800 0.5204000 H -3.641200 2.776600 0.1471000 H -3.593100 1.262300 1.081800 H -2.165600 -3.231300 0.2809000 H 3.912700 0.5411000 0.9935000 H 4.113800 0.1174000 -0.7321000 H 4.884600 2.452300 -0.2889000 H 3.465700 2.444800 -1.363900 H 3.267800 2.861500 0.3334000 %chk=000067877-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000067877 1 1 F -1.682964 2.528848 0.856835 O 2.179985 0.491132 -0.111673 O 2.528885 -1.745852 0.492783 N -1.882228 -0.043846 -0.501855 C -2.733263 1.150837 -0.827869 C -0.524578 0.131100 -0.359756 C 0.294988 -0.956387 -0.010950 C -2.467245 -1.276624 -0.302687 C -0.288166 -2.229812 0.196575 C -2.976857 2.025588 0.408058 C -1.684568 -2.384945 0.046351 C 1.786016 -0.798181 0.155064 C 3.659755 0.794955 0.030186 C 3.850275 2.258443 -0.336623 H -3.693299 0.799587 -1.241545 H -2.213660 1.735981 -1.604352 H -0.118950 1.130951 -0.519355 H -3.549543 -1.337844 -0.435714 H 0.361869 -3.068152 0.467967 H -3.600835 2.894680 0.138158 H -3.424675 1.470033 1.250070 H -2.168452 -3.352821 0.194020 H 3.937245 0.569172 1.074562 H 4.199288 0.103416 -0.640115 H 4.919554 2.517564 -0.238181 H 3.548030 2.455590 -1.378809 H 3.277590 2.919888 0.334855