%chk=000104574.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000104574 0 1 Cl 3.745200 -1.436500 -3.4200002E-02 O 3.324200 1.535000 -3.0099999E-02 C -1.637100 1.216000 3.5599999E-02 C -1.546200 -1.306600 3.7000000E-02 C -2.424500 -7.5099997E-02 0.3962000 C -0.2168000 0.7059000 3.5300002E-02 C -0.1663000 -0.6956000 3.6100000E-02 C -1.872800 2.297400 1.099100 C -2.026600 1.763600 -1.343000 C -1.703600 -2.400800 1.101800 C -1.895300 -1.882400 -1.340800 C 0.9535000 1.455900 9.7000003E-03 C 1.054700 -1.359700 1.1300000E-02 C 2.180600 0.7911000 -7.3000002E-03 C 2.230900 -0.6083000 -6.6000000E-03 H -2.627300 -8.1699997E-02 1.477200 H -3.406700 -0.1107000 -9.0499997E-02 H -1.551200 1.962300 2.092400 H -1.317700 3.214500 0.8715000 H -2.935100 2.559100 1.160900 H -1.450200 2.663900 -1.587300 H -1.842400 1.043800 -2.145600 H -3.088600 2.031600 -1.372000 H -1.084400 -3.276200 0.8750000 H -1.406500 -2.042600 2.094600 H -2.744400 -2.737900 1.164300 H -1.763300 -1.152100 -2.144200 H -1.255600 -2.739200 -1.584100 H -2.935300 -2.226100 -1.369500 H 0.9173000 2.540900 -1.8000000E-03 H 1.087500 -2.445200 8.9999998E-04 H 4.083200 0.9265000 -4.1200001E-02 %chk=000104574-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000104574 0 1 Cl 3.885394 -1.436032 -0.057054 O 3.377580 1.585083 -0.053272 C -1.657518 1.226675 0.049495 C -1.578299 -1.328546 0.049034 C -2.473868 -0.077346 0.378435 C -0.215161 0.705210 0.042420 C -0.173545 -0.712473 0.043058 C -1.885881 2.320119 1.124370 C -2.025837 1.806569 -1.348227 C -1.735877 -2.432843 1.125765 C -1.914649 -1.931842 -1.346643 C 0.968922 1.464035 0.005671 C 1.064014 -1.386561 0.008189 C 2.218449 0.801610 -0.024912 C 2.240023 -0.616700 -0.022968 H -2.707719 -0.084560 1.460711 H -3.433559 -0.106227 -0.169715 H -1.592702 1.959791 2.127236 H -1.299422 3.231702 0.903003 H -2.953482 2.608803 1.158837 H -1.388791 2.677072 -1.592733 H -1.892603 1.056845 -2.148032 H -3.080774 2.140510 -1.359109 H -1.093295 -3.306481 0.904934 H -1.464806 -2.052787 2.127560 H -2.782576 -2.789792 1.162639 H -1.833472 -1.175758 -2.147399 H -1.223673 -2.759712 -1.593633 H -2.945754 -2.333661 -1.353688 H 0.970714 2.558662 0.006522 H 1.126298 -2.479675 0.011434 H 4.181070 0.999112 -0.071230