%chk=000058894.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000058894 0 1 S -1.261800 -1.830700 1.229300 O 1.223800 2.291300 -0.8437000 O 3.754000 -0.9737000 0.7813000 O 2.573400 2.034900 0.9961000 O 3.692200 -0.7002000 -1.498800 O 1.015900 -2.507800 -1.307200 N -0.8249000 0.8296000 1.038700 N 0.9416000 -0.1816000 -1.319400 C -2.268600 1.112700 1.094800 C 1.794900 4.7899999E-02 -0.1717000 C 1.148400 -0.5500000 1.088000 C -3.168600 4.6100002E-02 0.4694000 C -0.3419000 -0.3549000 1.109300 C -2.796300 -1.309000 0.4990000 C -2.651600 1.299000 2.575800 C -2.400400 2.482500 0.3891000 C -4.418800 0.3707000 -9.0499997E-02 C 1.930000 1.559700 6.5200001E-02 C 3.174700 -0.5885000 -0.3919000 C -3.640500 -2.293800 -3.6400001E-02 C -5.253500 -0.6123000 -0.6271000 C -4.863000 -1.944600 -0.6024000 C 0.6281000 -1.444900 -1.785200 C 1.260100 3.711200 -0.6655000 C 5.061500 -1.545600 0.6721000 C -0.2953000 -1.398400 -2.973000 C 0.4315000 4.365600 -1.750300 C 5.555100 -1.915200 2.054600 H 1.548900 -9.3800001E-02 2.003500 H 1.378500 -1.620500 1.168500 H -2.524500 0.3734000 3.148600 H -3.697200 1.610000 2.683900 H -2.023400 2.060400 3.053200 H -3.388100 2.934100 0.5289000 H -2.216800 2.387600 -0.6877000 H -1.668200 3.199000 0.7816000 H 0.5221000 0.6224000 -1.778400 H -4.776500 1.395900 -0.1113000 H -3.355500 -3.343600 -1.7300000E-02 H -6.211400 -0.3341000 -1.056800 H -5.511300 -2.711300 -1.015700 H 0.8505000 3.966000 0.3182000 H 2.296500 4.060600 -0.7299000 H 5.016300 -2.441900 4.3400001E-02 H 5.742100 -0.8164000 0.2188000 H 0.1338000 -0.7676000 -3.756700 H -0.4370000 -2.407200 -3.370200 H -1.264700 -0.9940000 -2.668800 H 0.4356000 5.453800 -1.642200 H -0.6032000 4.011300 -1.716000 H 0.8218000 4.107500 -2.740300 H 5.588100 -1.031700 2.700700 H 4.874000 -2.629900 2.528400 H 6.554500 -2.356700 2.008300 %chk=000058894-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000058894 0 1 S -1.510481 -1.686475 1.970195 O 1.408718 2.402819 -0.777698 O 3.560600 -1.107249 0.750762 O 1.835020 1.794639 1.429878 O 3.959509 0.043673 -1.232996 O 1.861937 -2.212170 -1.962577 N -1.067609 0.595567 0.389069 N 1.125242 -0.041318 -1.652360 C -2.447577 1.093125 0.720123 C 1.656502 0.026205 -0.287996 C 0.877809 -0.894689 0.692136 C -3.485391 -0.047976 0.724132 C -0.562030 -0.477738 0.887155 C -3.182600 -1.308921 1.303538 C -2.378170 1.733964 2.141846 C -2.758487 2.190147 -0.322855 C -4.789914 0.129265 0.194260 C 1.623609 1.484115 0.238760 C 3.180667 -0.355946 -0.343746 C -4.142714 -2.345252 1.365671 C -5.763183 -0.890108 0.265860 C -5.441659 -2.131626 0.859804 C 1.278197 -1.176301 -2.419813 C 1.378439 3.840271 -0.363591 C 5.001234 -1.520451 0.785301 C 0.724143 -1.105257 -3.835143 C 1.054900 4.654044 -1.611220 C 5.200022 -2.313111 2.071623 H 1.388468 -0.886921 1.671890 H 0.934015 -1.927184 0.306171 H -2.137362 0.979783 2.910153 H -3.350433 2.193313 2.392625 H -1.595287 2.513303 2.162138 H -3.674661 2.750853 -0.068811 H -2.867590 1.759792 -1.333805 H -1.915392 2.901555 -0.342605 H 0.698780 0.809225 -2.022162 H -5.055316 1.082889 -0.271158 H -3.868563 -3.313273 1.798411 H -6.765838 -0.715993 -0.139361 H -6.187248 -2.931903 0.916626 H 0.616918 3.949060 0.430162 H 2.365214 4.090345 0.064848 H 5.197373 -2.118897 -0.122023 H 5.620746 -0.606582 0.744357 H 0.132872 -0.193540 -4.026158 H 1.564745 -1.139932 -4.550494 H 0.094114 -1.990805 -4.022323 H 1.029982 5.729396 -1.357331 H 0.070261 4.372821 -2.023443 H 1.819366 4.500022 -2.391472 H 4.973124 -1.694439 2.956563 H 4.549135 -3.203691 2.089603 H 6.250743 -2.649140 2.141782