%chk=000114515.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000114515 0 1 O 5.935000 -0.8262000 -9.4300002E-02 O -5.934900 -0.8263000 9.4400004E-02 O 2.630000 0.2309000 0.1026000 O -2.630000 0.2309000 -0.1026000 C 4.608100 -1.059000 0.3840000 C -4.608000 -1.058900 -0.3841000 C 4.975400 -1.304400 -1.045700 C -4.975200 -1.304700 1.045600 C 3.875700 0.1753000 0.7847000 C -3.875800 0.1755000 -0.7846000 C 1.894000 1.394200 0.4537000 C -1.894100 1.394400 -0.4537000 C 0.6018000 1.389200 -0.2956000 C -0.6019000 1.389200 0.2957000 H 4.423100 -1.910400 1.023800 H -4.423000 -1.910100 -1.024200 H 4.635000 -0.6104000 -1.803100 H 5.072500 -2.329400 -1.379600 H -4.634800 -0.6107000 1.803100 H -5.072100 -2.329700 1.379200 H 3.705500 0.1598000 1.867400 H 4.461800 1.070100 0.5420000 H -4.461900 1.070200 -0.5416000 H -3.705700 0.1602000 -1.867300 H 2.462900 2.288700 0.1749000 H 1.726400 1.411500 1.537100 H -2.463000 2.288700 -0.1747000 H -1.726500 1.411800 -1.537100 H 0.6651000 1.391600 -1.380900 H -0.6652000 1.391500 1.381000 %chk=000114515-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000114515 0 1 O 6.383980 -0.951231 0.335944 O -6.383968 -0.951208 -0.336064 O 2.787767 0.115788 -0.004236 O -2.787756 0.115779 0.004232 C 4.890509 -1.027000 0.105156 C -4.890491 -1.027006 -0.105328 C 5.813390 -0.902831 -1.064843 C -5.813344 -0.903078 1.064718 C 4.115887 0.164685 0.623203 C -4.115894 0.164788 -0.623161 C 1.897104 1.169288 0.518399 C -1.897099 1.169355 -0.518258 C 0.619703 1.127653 -0.275002 C -0.619699 1.127622 0.275139 H 4.450238 -2.007442 0.325480 H -4.450214 -2.007401 -0.325855 H 5.909713 0.068388 -1.566388 H 6.027047 -1.784679 -1.680102 H -5.909666 0.068042 1.566456 H -6.026977 -1.785048 1.679810 H 4.024398 0.109302 1.730532 H 4.644472 1.108461 0.365347 H -4.644479 1.108508 -0.365106 H -4.024435 0.109622 -1.730504 H 2.400092 2.157980 0.400453 H 1.701265 1.011069 1.601279 H -2.400091 2.158028 -0.400180 H -1.701257 1.011282 -1.601158 H 0.746388 1.112473 -1.366852 H -0.746384 1.112312 1.366987