%chk=000068237.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000068237 0 1 O -2.764800 0.5421000 -8.9999998E-04 C 0.6781000 -0.7192000 1.9999999E-04 C -0.7168000 -0.7061000 -9.9999997E-05 C 1.386900 0.4822000 5.0000002E-04 C -1.402800 0.5086000 0.000000 C 0.7010000 1.696700 6.0000003E-04 C 1.415800 -2.020600 1.9999999E-04 C -0.6937000 1.709900 3.9999999E-04 C -1.484300 -1.989800 3.0000001E-04 C 2.880600 0.4961000 -1.2000001E-03 H 1.237700 2.641900 1.9000000E-03 H 0.8944000 -2.788200 0.5811000 H 1.540400 -2.379700 -1.026500 H 2.404200 -1.949300 0.4633000 H -1.215000 2.663500 6.0000003E-04 H -1.422300 -2.468400 0.9831000 H -2.545300 -1.847600 -0.2288000 H -1.103100 -2.675400 -0.7643000 H 3.278200 -0.1164000 -0.8172000 H 3.272700 1.508500 -0.1510000 H 3.270100 0.1358000 0.9565000 H -3.060000 1.468800 -8.9999998E-04 %chk=000068237-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000068237 0 1 O -2.819793 0.500191 -0.048245 C 0.697338 -0.720482 0.010791 C -0.728838 -0.714167 -0.012584 C 1.430173 0.506280 0.016236 C -1.404966 0.533163 -0.026773 C 0.714041 1.727622 0.000940 C 1.412984 -2.062238 0.021164 C -0.695171 1.753325 -0.019781 C -1.525288 -2.005682 -0.021495 C 2.951739 0.538556 0.036725 H 1.267700 2.673813 0.005122 H 1.039262 -2.710415 0.836293 H 1.239971 -2.615467 -0.923187 H 2.500849 -1.954659 0.149296 H -1.231617 2.711487 -0.030929 H -1.357441 -2.589000 0.904970 H -2.602419 -1.798424 -0.103581 H -1.229286 -2.656596 -0.866291 H 3.391126 0.017268 -0.834969 H 3.317062 1.579759 0.018391 H 3.365912 0.058589 0.944263 H -3.181338 1.420478 -0.058557