%chk=000109958.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109958 0 1 O 0.1942000 2.634700 -0.2060000 O 1.002900 -2.818800 0.1225000 C 1.689200 0.7824000 -1.4800000E-02 C 1.896400 -0.6051000 4.1800000E-02 C 2.844400 1.752600 -3.0400001E-02 C 3.280100 -1.191500 0.1746000 C 4.154600 1.139000 0.4597000 C 4.389600 -0.2119000 -0.2032000 C 0.3810000 1.280900 -0.1171000 C 0.7898000 -1.468700 3.2699998E-02 C -0.7284000 0.4204000 -0.1375000 C -0.5212000 -0.9742000 -5.9200000E-02 C -2.039300 0.9161000 -0.2333000 C -1.630500 -1.835800 -7.5599998E-02 C -3.130200 4.6700001E-02 -0.2497000 C -2.926200 -1.327300 -0.1705000 C -4.515400 0.5900000 -0.3513000 C -5.131000 0.8704000 1.017200 H 2.975600 2.110600 -1.059300 H 2.621400 2.621900 0.5996000 H 3.422700 -1.511700 1.214300 H 3.392400 -2.068600 -0.4738000 H 4.985000 1.818900 0.2383000 H 4.123800 1.012700 1.549400 H 5.360200 -0.6194000 0.1013000 H 4.421700 -8.4799998E-02 -1.292900 H -2.243500 1.983000 -0.2763000 H -1.507700 -2.915000 -1.5900001E-02 H -3.767500 -2.015300 -0.1799000 H -4.514700 1.512000 -0.9461000 H -5.154100 -0.1139000 -0.8996000 H -0.5496000 2.824000 -0.8002000 H 1.856300 -3.006000 0.5437000 H -5.188700 -4.2199999E-02 1.620000 H -6.144900 1.266400 0.9012000 H -4.540000 1.605300 1.574100 %chk=000109958-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000109958 0 1 O 0.358806 2.726343 -0.353098 O 0.916486 -2.845486 0.330697 C 1.756032 0.805739 -0.073130 C 1.940343 -0.610434 0.082330 C 2.939650 1.763685 -0.117542 C 3.337554 -1.217630 0.202824 C 4.250464 1.134793 0.398724 C 4.462423 -0.253597 -0.237230 C 0.456404 1.322678 -0.188015 C 0.812930 -1.447209 0.144118 C -0.708552 0.481104 -0.158851 C -0.519477 -0.939070 0.026865 C -2.047076 0.978713 -0.307719 C -1.667316 -1.793556 0.074933 C -3.164026 0.136251 -0.256302 C -2.952556 -1.270762 -0.058424 C -4.579544 0.679854 -0.388781 C -5.353158 0.668716 0.956948 H 3.083438 2.106717 -1.163464 H 2.684645 2.675058 0.453171 H 3.522569 -1.518889 1.256985 H 3.411247 -2.143546 -0.409538 H 5.100563 1.803216 0.165989 H 4.212059 1.029600 1.501847 H 5.443978 -0.675135 0.050210 H 4.458158 -0.152106 -1.340636 H -2.228165 2.049398 -0.484168 H -1.505976 -2.866285 0.212367 H -3.820844 -1.940163 -0.026125 H -4.550445 1.713772 -0.782436 H -5.142462 0.075321 -1.127533 H -0.580115 3.024181 -0.273487 H 1.865475 -3.117466 0.386085 H -5.416164 -0.354456 1.369650 H -6.383170 1.047337 0.822976 H -4.845779 1.301112 1.707560