%chk=000109121.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109121 1 1 S -1.975300 1.681100 -6.3699998E-02 O 2.958800 2.504800 -3.0700000E-02 O -2.602000 1.382200 1.411200 O -1.806200 3.117300 -0.1827000 O -2.734100 0.9258000 -1.041900 O -3.053500 -0.9957000 1.065800 O -3.035500 -1.025000 -1.129200 N -2.450700 -1.118000 -2.5300000E-02 N 3.655800 -0.1574000 1.7500000E-02 N 4.706800 -0.4340000 3.1599998E-02 C -4.5299999E-02 -0.3892000 -1.4900000E-02 C 1.312700 -0.7871000 4.4000000E-03 C -0.3596000 0.9794000 -3.8500000E-02 C -1.049000 -1.371400 -1.0400000E-02 C 2.316200 0.1953000 -6.0000003E-04 C 0.6502000 1.941900 -4.2700000E-02 C 1.985700 1.550600 -2.4100000E-02 C 1.626900 -2.155700 2.8000001E-02 C -0.7186000 -2.726700 1.3500000E-02 C 0.6167000 -3.118100 3.2699998E-02 H 0.4471000 3.008000 -5.4800000E-02 H 2.657200 -2.502800 4.3400001E-02 H -1.488600 -3.495400 1.7899999E-02 H 0.8733000 -4.173400 5.1300000E-02 H -3.563100 1.578700 1.508900 H 2.545700 3.384900 -4.8500001E-02 %chk=000109121-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000109121 1 1 S -2.063906 1.843961 -0.505041 O 3.032751 2.423202 0.468271 O -2.964911 2.301531 0.987621 O -1.559873 3.256457 -1.083844 O -2.813788 0.739597 -1.407256 O -2.616869 -0.290780 1.378281 O -3.391176 -2.044784 0.136327 N -2.468709 -1.262404 0.526289 N 3.619351 -0.121307 0.059990 N 4.756623 -0.358120 0.032897 C -0.106987 -0.432758 0.067897 C 1.282604 -0.837447 -0.039567 C -0.369324 0.986073 0.099386 C -1.073100 -1.497897 0.071577 C 2.296097 0.196336 0.108680 C 0.614594 1.957281 0.238986 C 1.977929 1.577417 0.302703 C 1.627637 -2.199644 -0.279984 C -0.733301 -2.824376 -0.198309 C 0.628918 -3.171753 -0.404227 H 0.329339 3.017971 0.193636 H 2.676766 -2.499917 -0.372394 H -1.518337 -3.586153 -0.202609 H 0.895901 -4.211529 -0.611629 H -3.381265 1.460310 1.361661 H 2.794637 3.378834 0.588859