%chk=000119529.chk %nprocshared=8 %mem=28GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000119529 0 1 F -5.671200 -3.6499999E-02 6.0000003E-04 C 0.7550000 8.5800000E-02 -1.9999999E-04 C 0.2884000 -1.251600 -9.9999997E-05 C -0.2327000 1.104000 -9.9999997E-05 C -1.089700 -1.530200 -9.9999997E-05 C -1.613900 0.8304000 -1.9999999E-04 C -2.047700 -0.5074000 -9.9999997E-05 C 2.174300 0.3348000 -9.9999997E-05 C 3.070800 -0.7657000 0.000000 C 1.202100 -2.309100 0.000000 C 2.572200 -2.070200 9.9999997E-05 C 9.3000002E-02 2.570200 9.9999997E-05 C -1.560300 -2.961600 0.000000 C -2.570200 1.860800 -1.9999999E-04 C -3.424900 -0.7875000 -9.9999997E-05 C 2.756600 1.627400 -9.9999997E-05 C 4.460700 -0.5574000 1.9999999E-04 C -3.934600 1.569300 9.9999997E-05 C -4.361800 0.2457000 -9.9999997E-05 C 4.140800 1.821000 9.9999997E-05 C 4.993100 0.7280000 1.9999999E-04 H 0.9141000 -3.354600 -3.2000002E-02 H 3.248600 -2.923100 -6.6000000E-03 H 0.6240000 2.818500 0.9261000 H 0.6224000 2.819500 -0.9265000 H -0.6861000 3.323100 1.8000000E-03 H -2.543100 -3.118600 0.4470000 H -1.570000 -3.357200 -1.020600 H -0.9376000 -3.601300 0.6330000 H -2.383900 2.923700 -6.9999998E-04 H -3.840300 -1.787900 -3.0800000E-02 H 2.264700 2.576900 -1.0000000E-03 H 5.146800 -1.402600 3.9999999E-04 H -4.664600 2.373700 1.9999999E-04 H 4.550700 2.827200 -1.9999999E-04 H 6.069100 0.8730000 3.9999999E-04 %chk=000119529-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000119529 0 1 F -5.747837 0.036621 -0.511349 C 0.730276 0.126976 0.065878 C 0.261486 -1.259189 0.064934 C -0.232417 1.167921 0.209793 C -1.121756 -1.584021 -0.019741 C -1.629722 0.856746 0.062308 C -2.079911 -0.522272 -0.100636 C 2.186816 0.362993 -0.056819 C 3.104995 -0.732563 0.139745 C 1.238898 -2.324391 0.219719 C 2.587501 -2.071348 0.320108 C 0.136377 2.586560 0.630782 C -1.550250 -3.044482 -0.008509 C -2.618625 1.905491 0.044229 C -3.487060 -0.765726 -0.294123 C 2.755047 1.612130 -0.460310 C 4.513323 -0.518348 0.071372 C -3.974126 1.648155 -0.143587 C -4.373918 0.295376 -0.311117 C 4.144889 1.802171 -0.550924 C 5.038631 0.740783 -0.250018 H 0.885191 -3.356463 0.282088 H 3.299248 -2.890570 0.476826 H 1.123286 2.616834 1.115729 H 0.150152 3.308034 -0.210321 H -0.595949 2.961403 1.366948 H -2.639027 -3.168607 -0.085901 H -1.096605 -3.608025 -0.845073 H -1.240468 -3.543548 0.929092 H -2.299245 2.945157 0.147302 H -3.878823 -1.773799 -0.440614 H 2.103649 2.433456 -0.761551 H 5.182742 -1.369172 0.246210 H -4.720540 2.446627 -0.175611 H 4.537137 2.773643 -0.871431 H 6.121435 0.895946 -0.304928