%chk=000111599.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000111599 0 1 S 2.579800 -1.336800 -0.3258000 S -0.3908000 -1.032500 -0.1936000 O -3.654000 1.070900 -0.3445000 O -3.278300 -1.040400 0.4082000 N 1.372700 0.9463000 7.5700000E-02 C 3.617100 -2.1199999E-02 0.3379000 C 2.821600 1.232200 5.5000000E-03 C 1.185600 -0.3144000 -0.1313000 C -1.400600 0.4380000 9.4599999E-02 C -2.853200 5.7900000E-02 7.3200002E-02 H 4.614900 -1.2600000E-02 -0.1077000 H 3.705800 -0.1506000 1.421100 H 3.072100 2.033100 0.7092000 H 3.062900 1.597300 -1.000700 H -1.213700 1.161600 -0.7051000 H -1.176800 0.8874000 1.066400 H -4.600200 0.8121000 -0.3473000 %chk=000111599-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000111599 0 1 S 2.669464 -1.491971 -0.127243 S -0.427598 -1.171953 0.003373 O -3.711534 1.199884 -0.070779 O -3.434000 -1.109711 -0.021549 N 1.395581 0.911247 0.137043 C 3.733357 0.019409 0.330747 C 2.837054 1.267257 0.046622 C 1.189636 -0.364413 0.028691 C -1.468532 0.403191 -0.024404 C -2.935791 0.033936 -0.037581 H 4.641103 0.004220 -0.290654 H 3.997864 -0.070457 1.395683 H 3.057717 2.072920 0.768216 H 3.025670 1.661418 -0.971400 H -1.205314 0.997566 -0.913746 H -1.223194 1.011572 0.860475 H -4.676581 0.954186 -0.077694