%chk=000017132.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000017132 0 1 O -4.979600 7.5999998E-02 0.9379000 C 2.727000 -8.8600002E-02 -0.6210000 C 1.311500 -7.1999999E-03 -4.6300001E-02 C 3.781800 2.5000000E-02 0.4808000 C 0.2579000 -8.6999997E-02 -1.153200 C 5.196300 -2.2800000E-02 -9.6299998E-02 C -1.141200 -4.3400001E-02 -0.5944000 C 6.247100 0.1240000 0.9924000 C -1.775800 -1.228200 -0.2530000 C -1.771600 1.181100 -0.4308000 C -3.070700 -1.187800 0.2639000 C -3.066500 1.221700 8.6300001E-02 C -3.716100 3.7099998E-02 0.4337000 H 2.853800 -1.037700 -1.155800 H 2.872000 0.7166000 -1.351500 H 1.193700 0.9308000 0.5112000 H 1.162300 -0.8226000 0.6728000 H 3.650300 -0.7903000 1.202600 H 3.641000 0.9658000 1.027000 H 0.3957000 0.7367000 -1.865400 H 0.3908000 -1.008400 -1.734900 H 5.351600 -0.9718000 -0.6226000 H 5.326800 0.7807000 -0.8306000 H 7.250900 8.5699998E-02 0.5579000 H 6.139600 1.079700 1.515400 H 6.164400 -0.6821000 1.728500 H -1.281000 -2.186900 -0.3796000 H -1.273200 2.109000 -0.6966000 H -3.571300 -2.113900 0.5331000 H -3.558100 2.182400 0.2139000 H -5.270800 1.002800 0.9870000 %chk=000017132-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000017132 0 1 O -5.094401 0.034247 1.004704 C 2.766686 -0.072861 -0.630211 C 1.324522 0.008809 -0.082735 C 3.844254 0.064984 0.468846 C 0.246324 -0.115465 -1.195390 C 5.288379 -0.027608 -0.075522 C -1.173452 -0.056449 -0.651492 C 6.358786 0.113399 1.028276 C -1.874955 -1.240908 -0.301624 C -1.823234 1.184621 -0.434141 C -3.172645 -1.197668 0.247141 C -3.123162 1.250393 0.114917 C -3.796227 0.053124 0.456336 H 2.904018 -1.039510 -1.159303 H 2.916157 0.721082 -1.392334 H 1.182116 0.969034 0.453581 H 1.163792 -0.791677 0.667631 H 3.691544 -0.724067 1.234777 H 3.712788 1.034746 0.993001 H 0.407086 0.696435 -1.932778 H 0.405906 -1.070032 -1.734948 H 5.418755 -0.997558 -0.597747 H 5.439473 0.760048 -0.841946 H 7.381455 0.047550 0.613233 H 6.266195 1.086207 1.547258 H 6.250797 -0.682849 1.789021 H -1.398208 -2.215251 -0.465659 H -1.309259 2.116143 -0.701936 H -3.714445 -2.110521 0.512304 H -3.607769 2.223775 0.269869 H -5.442676 0.954228 1.109271