%chk=000124834.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124834 0 1 N 4.131300 2.424300 6.0000003E-04 C 7.4400000E-02 -0.3596000 -1.9999999E-04 C 1.492300 -0.2327000 -9.9999997E-05 C -0.7628000 0.7879000 -1.9999999E-04 C -0.4934000 -1.652100 -9.9999997E-05 C 2.090900 1.045600 -1.9999999E-04 C 2.317200 -1.383900 0.000000 C -2.191500 0.6224000 -9.9999997E-05 C -2.734300 -0.6865000 -1.9999999E-04 C -1.883400 -1.796600 -1.9999999E-04 C -0.1187000 2.046400 -9.9999997E-05 C 1.272700 2.174700 -1.9999999E-04 C 0.3371000 -2.781000 3.0000001E-04 C 1.724400 -2.649600 1.9999999E-04 C 3.489100 1.161700 -9.9999997E-05 C 3.712400 -1.239900 9.9999997E-05 C 4.293700 2.5400000E-02 -9.9999997E-05 C -3.119100 1.695300 9.9999997E-05 C -4.126500 -0.8834000 0.000000 C -4.500800 1.486200 3.0000001E-04 C -5.004900 0.1955000 1.9999999E-04 H -2.313400 -2.798900 -9.9999997E-05 H -0.6911000 2.970600 -1.9999999E-04 H 1.664400 3.187000 -1.9999999E-04 H -8.9599997E-02 -3.782300 5.0000002E-04 H 2.335500 -3.549700 3.0000001E-04 H 4.360000 -2.114300 1.9999999E-04 H 5.377700 0.1093000 9.9999997E-05 H -2.783400 2.729000 1.9999999E-04 H -4.542700 -1.889400 -9.9999997E-05 H -5.177500 2.335700 5.0000002E-04 H -6.077300 2.6400000E-02 3.9999999E-04 H 5.142900 2.461200 -1.9999999E-04 H 3.617600 3.291900 -1.3000000E-03 %chk=000124834-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000124834 0 1 N 4.171563 2.451818 -0.000161 C 0.078860 -0.375112 0.000053 C 1.515658 -0.232995 0.000047 C -0.772473 0.782188 0.000031 C -0.508929 -1.709740 0.000078 C 2.112741 1.080238 0.000000 C 2.352322 -1.410322 0.000096 C -2.218974 0.621609 0.000037 C -2.776826 -0.717667 0.000048 C -1.906585 -1.847641 0.000069 C -0.144484 2.077362 0.000060 C 1.235898 2.219748 0.000044 C 0.365786 -2.865674 0.000124 C 1.737885 -2.719169 0.000137 C 3.551680 1.204856 -0.000115 C 3.760467 -1.245120 0.000090 C 4.350184 0.030303 -0.000031 C -3.128931 1.728023 0.000039 C -4.203142 -0.887024 0.000048 C -4.514341 1.535495 0.000041 C -5.059611 0.213781 0.000038 H -2.345641 -2.853266 0.000086 H -0.763260 2.979108 0.000114 H 1.646155 3.236758 0.000185 H -0.090552 -3.862245 0.000153 H 2.391787 -3.599606 0.000179 H 4.400476 -2.135492 0.000130 H 5.442874 0.127041 -0.000094 H -2.743205 2.752097 0.000044 H -4.608433 -1.906059 0.000057 H -5.186112 2.401132 0.000045 H -6.145875 0.070920 0.000035 H 5.185421 2.515452 -0.000498 H 3.640816 3.315804 -0.001109