%chk=000113367.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000113367 0 1 S -2.1100000E-02 2.955300 -1.0000000E-03 O -4.103900 -2.7799999E-02 1.9000000E-03 O 0.5608000 3.071700 -1.343500 O -1.146800 3.866700 0.2437000 O 0.9544000 2.906600 1.095000 O 4.307600 -1.929900 0.000000 O 4.194300 0.2624000 -3.0000001E-04 N 3.644000 -0.8651000 9.9999997E-05 N -2.644000 -2.361200 -3.0000001E-04 N -3.163200 -3.315900 -1.5000000E-03 C 6.2399998E-02 0.1744000 3.0000001E-04 C -0.5789000 -1.087100 5.0000002E-04 C -0.7182000 1.341800 3.9999999E-04 C -1.982200 -1.144100 1.0000000E-03 C 1.465700 0.2315000 -9.9999997E-05 C -2.111200 1.266600 1.3000000E-03 C 0.2017000 -2.254400 3.9999999E-04 C -2.742100 2.5900001E-02 1.7000000E-03 C 2.225700 -0.9385000 1.9999999E-04 C 1.594900 -2.179000 1.9999999E-04 H 1.992700 1.176600 -4.3800000E-02 H -2.732500 2.157300 -8.2000000E-03 H -0.2526000 -3.242200 5.0000002E-04 H 2.154700 -3.110900 1.9999999E-04 H -4.460100 0.8772000 3.1000001E-03 %chk=000113367-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000113367 0 1 S -0.010369 3.118551 -0.026588 O -4.164442 -0.118802 0.029667 O 0.495614 2.952467 -1.607462 O -1.328937 4.054574 0.221825 O 1.187086 3.173408 1.086898 O 4.363537 -2.031389 0.002850 O 4.289089 0.249076 0.089031 N 3.730080 -0.905989 0.038375 N -2.686903 -2.323005 -0.055357 N -3.277474 -3.333201 -0.092798 C 0.084629 0.159031 0.031560 C -0.559491 -1.133377 -0.007764 C -0.742717 1.340504 0.054598 C -2.017771 -1.151509 -0.017982 C 1.511489 0.227620 0.051416 C -2.140952 1.294679 0.053044 C 0.225156 -2.320445 -0.037120 C -2.797710 0.056981 0.020225 C 2.238822 -0.963728 0.019399 C 1.620777 -2.241215 -0.026058 H 2.019371 1.197159 0.109022 H -2.675790 2.256722 0.091251 H -0.252439 -3.305488 -0.069204 H 2.250177 -3.134338 -0.049836 H -4.658733 0.739615 0.042809