%chk=000025058.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000025058 0 1 S -1.934800 -1.358100 -0.2117000 S 1.012900 -2.063900 -0.1262000 N -4.190900 0.2497000 -0.2383000 N 0.1166000 0.3535000 -5.7500001E-02 C -2.721400 0.2944000 -0.1716000 C 2.170900 -0.7902000 -2.6000001E-02 C 1.500100 0.4363000 3.9999999E-04 C -0.2461000 -0.9061000 -0.1260000 C -4.764500 -0.4469000 0.9176000 C -4.732100 1.610100 -0.3053000 C 3.571700 -0.8706000 2.5400000E-02 C 2.260900 1.622900 8.1299998E-02 C 4.300800 0.3186000 0.1051000 C 3.655900 1.550300 0.1328000 H -2.344700 0.8463000 -1.040500 H -2.395300 0.8201000 0.7344000 H -4.449400 9.9999997E-05 1.867600 H -4.502800 -1.509400 0.9269000 H -5.859800 -0.4150000 0.8762000 H -4.347600 2.133800 -1.187700 H -4.480600 2.200500 0.5834000 H -5.822800 1.586900 -0.4081000 H 4.082000 -1.828600 4.1999999E-03 H 1.767300 2.590300 0.1035000 H 5.386100 0.2787000 0.1458000 H 4.239500 2.464700 0.1949000 %chk=000025058-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000025058 0 1 S -2.149417 -0.582218 -1.840941 S 0.715428 -1.772989 -1.416022 N -3.819617 1.045868 0.014416 N -0.101206 0.566515 -0.337007 C -3.006148 1.206675 -1.106281 C 1.869635 -0.809685 -0.397967 C 1.236631 0.389405 0.071169 C -0.537479 -0.421508 -1.094472 C -3.160127 0.754453 1.302535 C -5.130593 0.399145 -0.172934 C 3.202641 -1.117191 -0.066988 C 1.965077 1.288533 0.885432 C 3.915365 -0.206925 0.748181 C 3.300696 0.983737 1.218456 H -3.547655 1.514774 -2.010477 H -2.082153 1.767028 -0.913350 H -3.820409 1.056312 2.134253 H -2.211097 1.309058 1.365224 H -2.927673 -0.327868 1.403398 H -5.611715 0.782769 -1.088764 H -5.783484 0.628682 0.686862 H -5.034524 -0.705383 -0.260598 H 3.682168 -2.032704 -0.426772 H 1.480718 2.203884 1.238926 H 4.954222 -0.426487 1.016952 H 3.872616 1.674520 1.847368