%chk=000104739.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000104739 0 1 N 2.559200 -0.2601000 0.000000 N 0.9758000 -1.818700 1.9999999E-04 N -1.872300 -1.179500 -1.9999999E-04 N -2.604200 1.525300 0.000000 N 3.280600 -2.498400 -1.9999999E-04 C 1.371000 0.4236000 3.0000001E-04 C 0.3969000 -0.5687000 6.9999998E-04 C 1.070700 1.783400 0.000000 C -0.9578000 -0.1852000 3.0000001E-04 C -1.305400 1.176600 9.9999997E-05 C -0.2877000 2.130100 0.000000 C 2.270900 -1.596200 0.000000 C 3.882000 0.3268000 -3.9999999E-04 C 2.099200 2.864000 -3.0000001E-04 C -3.160400 -0.7947000 0.000000 C -3.519200 0.5326000 0.000000 C -4.199100 -1.860900 -5.0000002E-04 H -0.5670000 3.183700 -1.5000000E-03 H 4.660000 -0.4112000 -0.1890000 H 3.939300 1.063400 -0.8040000 H 4.052800 0.7874000 0.9756000 H 2.633900 2.884700 -0.9543000 H 1.642900 3.851300 0.1341000 H 2.806000 2.734900 0.8238000 H -4.554500 0.8535000 -9.9999997E-05 H 4.266700 -2.270600 3.3000000E-02 H 3.078900 -3.493600 -6.8999999E-03 H -4.829900 -1.779000 0.8904000 H -4.828300 -1.779600 -0.8924000 H -3.741300 -2.855600 1.9999999E-04 %chk=000104739-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000104739 0 1 N 2.653454 -0.220266 0.002947 N 1.033281 -1.854832 0.050822 N -1.940004 -1.250748 -0.003599 N -2.645008 1.540920 -0.013533 N 3.340935 -2.564233 0.034046 C 1.406183 0.457782 -0.003809 C 0.427816 -0.588371 0.007165 C 1.071429 1.849458 0.004555 C -0.966772 -0.265710 -0.002298 C -1.311556 1.145264 -0.007735 C -0.296597 2.153884 0.000645 C 2.353397 -1.592920 0.049541 C 4.011139 0.322759 -0.096700 C 2.095975 2.971451 0.017419 C -3.230593 -0.842435 -0.011821 C -3.566836 0.559433 -0.016122 C -4.311640 -1.899389 -0.016377 H -0.632134 3.195962 0.006539 H 4.638256 -0.377368 -0.677092 H 4.000092 1.281586 -0.631860 H 4.471784 0.481261 0.897272 H 2.639724 3.049664 -0.944098 H 1.594925 3.939240 0.184145 H 2.847290 2.843149 0.818536 H -4.618545 0.871167 -0.021379 H 4.259074 -2.395932 0.436739 H 3.004920 -3.524462 -0.002144 H -4.969932 -1.806344 0.868041 H -4.954789 -1.813950 -0.912628 H -3.845567 -2.896724 -0.008318