%chk=000089653.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000089653 0 1 O -3.910600 -0.8052000 -1.9999999E-04 O 3.824200 -0.8568000 -2.4000001E-03 N 2.025000 0.6649000 5.0000002E-04 C -0.4071000 0.3657000 9.9999997E-05 C -1.512000 -0.5187000 9.9999997E-05 C 0.8946000 -0.1616000 3.0000001E-04 C -0.6364000 1.751200 -9.9999997E-05 C -2.813700 8.6000003E-03 -1.9999999E-04 C -1.282700 -1.904300 1.9999999E-04 C 1.103800 -1.541000 6.0000003E-04 C 1.7300000E-02 -2.410600 5.0000002E-04 C -1.936300 2.257600 -1.9999999E-04 C -3.023000 1.387900 -3.0000001E-04 C 3.369800 0.2827000 6.0000003E-04 C 4.287200 1.479700 6.0000003E-04 H 0.1625000 2.485500 0.000000 H -2.090900 -2.629800 -1.6000001E-02 H 2.066800 -2.027700 1.9999999E-04 H 0.1796000 -3.484800 -3.1000001E-03 H 1.865000 1.665800 7.9999998E-04 H -2.100800 3.331200 -3.0000001E-04 H -4.032400 1.790500 -5.0000002E-04 H -3.703700 -1.652200 0.4240000 H 4.118800 2.075100 -0.9012000 H 5.329100 1.148000 1.7500000E-02 H 4.096800 2.093600 0.8855000 %chk=000089653-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000089653 0 1 O -4.018234 -0.747413 0.090058 O 3.881611 -0.841494 -0.103938 N 2.053230 0.640472 -0.010346 C -0.390161 0.350222 0.034022 C -1.534231 -0.541869 0.039458 C 0.937665 -0.241310 -0.007988 C -0.619041 1.766073 0.069549 C -2.856819 0.038593 0.081741 C -1.330769 -1.959900 0.002419 C 1.100754 -1.636124 -0.044456 C -0.039874 -2.486521 -0.039036 C -1.917777 2.283142 0.109827 C -3.048015 1.421928 0.116500 C 3.418140 0.335400 -0.056265 C 4.336492 1.556852 -0.044569 H 0.209413 2.483601 0.064791 H -2.178035 -2.658637 0.005517 H 2.109013 -2.051117 -0.076888 H 0.109839 -3.570750 -0.067561 H 1.833200 1.635445 0.026323 H -2.073298 3.366680 0.136163 H -4.067267 1.816033 0.147580 H -3.808095 -1.712872 0.063567 H 4.962320 1.542116 -0.953545 H 5.017288 1.484018 0.820935 H 3.803552 2.522732 0.003142