%chk=000154615.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000154615 0 1 S -3.961900 1.418800 0.4301000 F 6.209400 -0.5710000 -1.5400000E-02 O 0.3538000 2.184200 -0.4009000 O -4.258400 -2.336900 -0.4220000 O -5.756900 -0.8259000 0.1170000 N 0.7075000 -8.4500000E-02 0.1047000 N -4.556300 -1.150600 -0.1055000 C -1.531000 0.8840000 9.4999997E-03 C 2.096900 -0.2085000 7.2600000E-02 C -6.1600000E-02 1.063800 -0.1255000 C -2.189400 -0.3314000 -0.1982000 C -2.327200 1.922700 0.3512000 C -3.544700 -0.1852000 3.0000001E-04 C 2.889300 0.9024000 -0.2170000 C 2.693800 -1.442200 0.3322000 C 4.278400 0.7796000 -0.2474000 C 4.082900 -1.565000 0.3021000 C 4.875300 -0.4542000 1.2200000E-02 H 0.2154000 -0.9403000 0.3481000 H -1.732400 -1.269100 -0.4886000 H -2.065600 2.949900 0.5649000 H 2.504100 1.889700 -0.4284000 H 2.089000 -2.316400 0.5598000 H 4.896900 1.643600 -0.4725000 H 4.548100 -2.525300 0.5045000 %chk=000154615-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000154615 0 1 S -4.129921 1.535457 -0.007242 F 6.316288 -0.669104 0.024126 O 0.405229 2.290518 -0.070525 O -4.206227 -2.467243 0.127617 O -5.876861 -0.890189 0.086197 N 0.720443 -0.038067 0.023618 N -4.631481 -1.244681 0.089642 C -1.547382 0.876106 -0.002553 C 2.142747 -0.137566 0.020229 C -0.063191 1.111368 -0.019960 C -2.260763 -0.374116 0.044755 C -2.409687 1.975758 -0.034686 C -3.636623 -0.197637 0.047883 C 3.000202 0.995891 -0.021998 C 2.700315 -1.444837 0.063058 C 4.398656 0.811825 -0.020640 C 4.095969 -1.630983 0.064799 C 4.918991 -0.491981 0.022763 H 0.229043 -0.933071 0.064776 H -1.832850 -1.378726 0.074551 H -2.104448 3.020980 -0.072887 H 2.567628 1.996553 -0.055817 H 2.043940 -2.323525 0.095167 H 5.076582 1.669543 -0.052676 H 4.538801 -2.630073 0.097602