%chk=000119396.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000119396 0 1 O -1.281800 2.275400 -2.7000001E-03 O 1.201200 2.877400 1.5000000E-03 O -3.804000 1.866300 1.2000001E-03 O 5.274900 0.3112000 1.1000000E-03 O 4.774400 -1.896500 2.4999999E-03 C -0.4560000 -1.812200 -2.4000001E-03 C 0.6327000 -0.7747000 -1.2000001E-03 C -1.862200 -1.278600 -6.9999998E-04 C 0.3603000 0.5974000 -7.9999998E-04 C -2.143600 9.1700003E-02 9.9999997E-05 C -1.039200 1.075000 -7.9999998E-04 C 1.971000 -1.198500 -1.4000000E-03 C 1.406600 1.529300 -5.0000002E-04 C -2.931000 -2.188600 -3.9999999E-04 C -3.469600 0.5444000 1.4000000E-03 C 3.013200 -0.2712000 -7.9999998E-04 C 2.730500 1.091800 -3.9999999E-04 C -4.251400 -1.738500 1.0000000E-03 C -4.520000 -0.3728000 2.2000000E-03 C 4.393800 -0.7284000 1.1000000E-03 H -0.3286000 -2.442300 0.8873000 H -0.3296000 -2.439300 -0.8943000 H 2.187100 -2.265200 -1.6000000E-03 H -2.736900 -3.258700 -1.3000000E-03 H 3.515700 1.843600 6.0000003E-04 H -5.068600 -2.453900 1.3000000E-03 H -5.554500 -3.9500002E-02 3.1000001E-03 H 0.2546000 3.082300 6.0999999E-03 H -4.772000 1.959000 2.0999999E-03 H 6.205400 5.0000002E-04 2.3000001E-03 %chk=000119396-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000119396 0 1 O -1.261738 2.390987 -0.000113 O 1.185464 2.934240 0.001562 O -3.854697 1.903527 0.001458 O 5.397532 0.269757 0.001064 O 4.773854 -1.964600 0.000015 C -0.460101 -1.795052 -0.001860 C 0.652430 -0.770247 -0.000837 C -1.881501 -1.264731 -0.000657 C 0.343242 0.621612 -0.000296 C -2.166330 0.138045 -0.000147 C -1.051491 1.112486 -0.000719 C 1.991206 -1.194560 -0.000622 C 1.423259 1.583124 0.000593 C -2.931066 -2.210903 -0.000235 C -3.545116 0.545622 0.000871 C 3.042764 -0.239517 0.000134 C 2.767127 1.141971 0.000735 C -4.274752 -1.789857 0.000719 C -4.582641 -0.416278 0.001269 C 4.441360 -0.754356 0.000346 H -0.334114 -2.462027 0.875591 H -0.334754 -2.459439 -0.881398 H 2.249423 -2.258469 -0.001029 H -2.691475 -3.279780 -0.000629 H 3.571806 1.879307 0.001406 H -5.083998 -2.527209 0.001059 H -5.628914 -0.084978 0.002004 H 0.150229 3.047959 0.001882 H -4.839371 2.028109 0.002224 H 6.304761 -0.138341 0.001209