%chk=000112821.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000112821 0 1 O 5.030400 -1.198000 1.9999999E-04 O 4.918100 0.9944000 -9.9999997E-05 N 4.366700 -0.1330000 1.9999999E-04 C -1.332500 -0.3596000 -1.9999999E-04 C 0.1072000 -0.3411000 -9.9999997E-05 C -2.040800 0.8704000 0.000000 C 0.7835000 0.9068000 -9.9999997E-05 C -1.339600 2.078800 -9.9999997E-05 C 5.1199999E-02 2.096800 -9.9999997E-05 C -2.112700 -1.543000 -3.9999999E-04 C -3.446100 0.8863000 9.9999997E-05 C 0.9177000 -1.503900 0.000000 C -4.176800 -0.2979000 0.000000 C 2.187900 0.9591000 0.000000 C -3.509900 -1.513100 -1.9999999E-04 C 2.948900 -0.2057000 1.9999999E-04 C 2.313800 -1.437800 9.9999997E-05 C -5.667000 -0.2597000 5.0000002E-04 H -1.870100 3.029300 0.000000 H 0.5565000 3.060900 -9.9999997E-05 H -1.644900 -2.524200 -1.0000000E-03 H -3.977900 1.837000 -1.6000000E-03 H 0.4750000 -2.496700 0.000000 H 2.671700 1.935300 0.000000 H -4.059900 -2.450400 -2.0999999E-03 H 2.867200 -2.373500 1.9999999E-04 H -6.089200 -1.170400 0.4387000 H -6.037600 0.5828000 0.5944000 H -6.040700 -0.1606000 -1.023600 %chk=000112821-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000112821 0 1 O 5.080450 -1.284591 -0.031907 O 5.008527 0.995046 0.024326 N 4.436116 -0.163868 -0.004384 C -1.337631 -0.345930 -0.008296 C 0.123699 -0.328219 -0.008320 C -2.058088 0.903673 0.023032 C 0.811124 0.943896 0.022653 C -1.328874 2.152758 0.053454 C 0.051311 2.174294 0.053215 C -2.103918 -1.552911 -0.037893 C -3.486528 0.899894 0.024132 C 0.914538 -1.521310 -0.037547 C -4.225260 -0.292653 -0.004884 C 2.234081 0.981583 0.023411 C -3.502121 -1.527605 -0.036335 C 2.957449 -0.215005 -0.005833 C 2.310347 -1.480870 -0.036698 C -5.741983 -0.293471 -0.003603 H -1.899204 3.088520 0.077024 H 0.597310 3.124013 0.076507 H -1.599320 -2.523474 -0.062532 H -4.011660 1.862918 0.048839 H 0.425607 -2.498895 -0.061301 H 2.770232 1.934967 0.046836 H -4.060791 -2.471045 -0.059567 H 2.916322 -2.389721 -0.058935 H -6.140459 -0.843182 0.869864 H -6.149192 0.731107 0.027028 H -6.141983 -0.790619 -0.907384