%chk=000076251.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000076251 0 1 S -2.687000 1.264200 6.9999998E-04 O 3.904500 0.3883000 1.7000000E-03 O 3.169200 -1.680100 5.0000002E-04 N -1.908200 -1.194500 -1.3000000E-03 N 2.964500 -0.4425000 3.9999999E-04 C -0.7636000 -0.4105000 -1.0000000E-03 C -0.9881000 0.9694000 -3.9999999E-04 C 0.5679000 -0.8804000 -1.0000000E-03 C 1.626000 3.3300001E-02 -8.9999998E-04 C 6.9799997E-02 1.892900 -3.0000001E-04 C -2.969800 -0.4226000 1.9999999E-04 C 1.377800 1.401500 -5.0000002E-04 C -4.363100 -0.9190000 1.8000000E-03 H 0.7333000 -1.954200 -1.1000000E-03 H -0.1168000 2.962400 3.0000001E-04 H 2.185400 2.130400 -1.9999999E-04 H -4.901000 -0.5782000 0.8923000 H -4.903600 -0.5769000 -0.8867000 H -4.380800 -2.013900 1.0000000E-03 %chk=000076251-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000076251 0 1 S -2.741955 1.402055 0.001036 O 3.969357 0.388975 -0.000998 O 3.184849 -1.750505 -0.000687 N -1.921972 -1.172523 0.000836 N 3.007376 -0.472373 -0.000374 C -0.755990 -0.380041 0.000366 C -0.977503 1.039619 0.000453 C 0.557742 -0.888602 0.000076 C 1.615063 0.040427 -0.000199 C 0.098046 1.952233 0.000145 C -3.020562 -0.458189 0.000826 C 1.410151 1.444317 -0.000180 C -4.421000 -0.984202 0.000996 H 0.752547 -1.962863 0.000124 H -0.073279 3.031858 0.000242 H 2.278858 2.106771 -0.000340 H -4.976741 -0.641582 0.892218 H -4.977260 -0.641023 -0.889697 H -4.391330 -2.084753 0.000657