%chk=000113270.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000113270 0 1 S -1.992600 -2.050500 -7.7000000E-03 S -2.378200 1.969500 -1.0800000E-02 O -1.315500 -2.817200 1.264600 O -3.431500 -2.069400 0.1912000 O -1.432400 -2.632700 -1.214700 O -3.646100 2.578600 -0.8363000 O -2.786300 1.838700 1.375800 O -1.212800 2.761400 -0.3600000 O 4.753500 7.7600002E-02 -1.123000 O 4.758600 0.5707000 1.016200 N -1.443300 -0.4124000 0.1325000 N -2.196400 0.4010000 -0.6796000 N 4.152300 0.2527000 -3.5500001E-02 C -5.5000000E-03 -0.2409000 8.9299999E-02 C 0.6628000 -0.4313000 -1.108400 C 0.6695000 0.1094000 1.246200 C 2.742800 8.6499996E-02 6.0999999E-03 C 2.047200 -0.2662000 -1.150300 C 2.054000 0.2744000 1.204400 H -1.976800 0.3325000 -1.681800 H 0.1400000 -0.6914000 -2.023800 H 0.1378000 0.2568000 2.181900 H 2.550400 -0.4176000 -2.101800 H 2.562500 0.5493000 2.124900 H -1.517200 -2.427000 2.147300 H -3.537800 2.604900 -1.816000 %chk=000113270-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000113270 0 1 S -2.362668 -2.337297 0.734839 S -3.351109 2.112583 -0.824810 O -3.359631 -1.072654 1.011673 O -2.928297 -3.500522 -0.221480 O -1.263890 -2.684898 1.868685 O -3.098207 3.792321 -0.195277 O -3.007119 1.487946 0.839210 O -2.042358 1.767111 -1.725359 O 4.620220 1.688147 0.175125 O 5.012443 -0.342190 1.142470 N -1.032937 -1.174361 -0.781831 N -1.757027 -0.827842 -1.762183 N 4.259867 0.500889 0.523858 C 0.299644 -0.730544 -0.463463 C 0.720623 0.582555 -0.817507 C 1.142891 -1.626507 0.242848 C 2.871376 0.071107 0.183818 C 2.026342 0.983305 -0.487107 C 2.453395 -1.224551 0.556558 H -1.301283 -0.161248 -2.445229 H 0.018839 1.281526 -1.289728 H 0.775013 -2.613843 0.532389 H 2.395477 1.983871 -0.726456 H 3.143561 -1.885086 1.086587 H -3.145044 0.465009 0.940349 H -2.731122 3.672573 0.732721