%chk=000111844.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000111844 0 1 O 1.855000 0.3536000 1.4000000E-02 C -1.810700 -0.4702000 1.3100000E-02 C -0.5402000 0.3784000 2.0500001E-02 C -3.097400 0.3599000 9.3999999E-03 C -4.368900 -0.4895000 2.7000001E-02 C 0.7112000 -0.4891000 -9.3999999E-03 C 3.059600 -0.4004000 -1.2200000E-02 C -5.616000 0.3782000 -5.0600000E-02 C 4.240400 0.5580000 1.4700000E-02 C 5.567000 -0.1789000 -2.6400000E-02 H -1.805600 -1.122500 -0.8690000 H -1.811100 -1.126800 0.8920000 H -0.5196000 1.020800 0.9095000 H -0.5330000 1.057300 -0.8412000 H -3.097600 1.027300 0.8802000 H -3.102200 1.001800 -0.8804000 H 0.7280000 -1.153800 0.8623000 H 0.7234000 -1.099500 -0.9201000 H -4.362200 -1.185100 -0.8200000 H -4.400200 -1.091700 0.9422000 H 3.090800 -1.009400 -0.9233000 H 3.095800 -1.065400 0.8587000 H -6.514100 -0.2473000 -3.4299999E-02 H -5.667000 1.068300 0.7976000 H -5.628500 0.9662000 -0.9739000 H 4.172600 1.249200 -0.8339000 H 4.187900 1.181100 0.9156000 H 5.655600 -0.7769000 -0.9390000 H 6.397500 0.5336000 -5.4000001E-03 H 5.671300 -0.8473000 0.8342000 %chk=000111844-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000111844 0 1 O 1.874768 0.308844 -0.003047 C -1.858215 -0.516644 -0.005796 C -0.550993 0.308509 -0.004875 C -3.126214 0.366785 -0.005972 C -4.438923 -0.449530 -0.005257 C 0.701621 -0.572867 -0.006855 C 3.139912 -0.433888 -0.005454 C -5.700681 0.440476 -0.004526 C 4.285118 0.584106 -0.000766 C 5.670755 -0.097708 -0.004409 H -1.877751 -1.181939 -0.894623 H -1.878669 -1.182659 0.882471 H -0.518670 0.966784 0.884869 H -0.519584 0.970038 -0.892220 H -3.109370 1.033386 0.881444 H -3.109813 1.032426 -0.894089 H 0.718839 -1.233299 0.891331 H 0.720372 -1.227395 -0.909304 H -4.453995 -1.115127 -0.892645 H -4.452964 -1.115280 0.882044 H 3.198056 -1.086012 -0.908212 H 3.197116 -1.093423 0.891951 H -6.625466 -0.165381 -0.001789 H -5.722226 1.095235 0.887174 H -5.725618 1.092335 -0.898236 H 4.176834 1.239304 -0.885482 H 4.177345 1.230816 0.890219 H 5.804853 -0.731667 -0.901357 H 6.480087 0.654146 -0.000878 H 5.805277 -0.740472 0.886187