%chk=000135632.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000135632 0 1 N -0.8813000 1.459100 9.9999997E-05 N 5.422400 -0.9805000 3.0000001E-04 C 0.6033000 -0.4342000 -1.9999999E-04 C -1.803600 -0.7630000 -9.9999997E-05 C 0.3661000 0.9507000 -9.9999997E-05 C -1.946600 0.6348000 0.000000 C -0.5063000 -1.285500 -1.9999999E-04 C 1.918100 -0.9318000 -1.9999999E-04 C -2.936800 -1.595100 0.000000 C 1.466900 1.803400 0.000000 C -3.235700 1.161000 9.9999997E-05 C 3.001300 -5.7999998E-02 -1.9999999E-04 C 2.774700 1.312400 -9.9999997E-05 C -4.214700 -1.043900 9.9999997E-05 C -4.364100 0.3371000 1.9999999E-04 C 4.336200 -0.5666000 1.9999999E-04 H -0.3592000 -2.364800 -1.9999999E-04 H 2.089200 -2.007400 -9.9999997E-05 H -2.829200 -2.677500 0.000000 H 1.315300 2.881400 9.9999997E-05 H -3.379100 2.240000 9.9999997E-05 H 3.603500 2.016400 9.9999997E-05 H -5.088000 -1.688700 9.9999997E-05 H -5.356800 0.7776000 1.9999999E-04 %chk=000135632-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000135632 0 1 N -0.889082 1.496793 0.000044 N 5.525110 -0.948279 0.000031 C 0.615707 -0.488127 -0.000027 C -1.815857 -0.819211 -0.000004 C 0.367806 0.955173 0.000011 C -1.961182 0.638842 0.000040 C -0.506002 -1.353719 -0.000039 C 1.967653 -0.966571 -0.000063 C -3.000319 -1.638591 -0.000014 C 1.497890 1.850632 0.000034 C -3.285258 1.204108 0.000087 C 3.040052 -0.066813 -0.000057 C 2.795028 1.362035 0.000012 C -4.262704 -1.055321 0.000016 C -4.404963 0.378257 0.000076 C 4.396237 -0.548711 -0.000082 H -0.358310 -2.441187 -0.000077 H 2.157630 -2.045884 -0.000097 H -2.887779 -2.729663 -0.000055 H 1.285099 2.923648 0.000082 H -3.363958 2.295440 0.000129 H 3.652968 2.041638 0.000040 H -5.160459 -1.682960 0.000005 H -5.409708 0.815371 0.000107