%chk=000022817.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000022817 0 1 N 3.052800 -1.951400 8.9999998E-04 C 1.4900000E-02 -1.676100 -3.0000001E-04 C 1.049500 -0.5702000 -3.0000001E-04 C 0.4209000 0.6954000 -1.9999999E-04 C -1.278700 -0.8886000 -3.0000001E-04 C -1.012900 0.4993000 -1.9999999E-04 C 2.428000 -0.6927000 -1.9999999E-04 C 1.176200 1.856100 9.9999997E-05 C -2.573500 -1.376900 -1.9999999E-04 C -2.052200 1.414500 1.9999999E-04 C 3.189100 0.4775000 -9.9999997E-05 C 2.569600 1.739200 0.000000 C -3.620900 -0.4540000 1.9999999E-04 C -3.362900 0.9277000 3.9999999E-04 H 9.4800003E-02 -2.284700 0.9052000 H 9.4700001E-02 -2.284600 -0.9059000 H 0.7126000 2.836900 1.9999999E-04 H -2.774000 -2.442500 -3.0000001E-04 H -1.869000 2.483800 3.0000001E-04 H 4.275700 0.4272000 1.9999999E-04 H 3.183600 2.636100 1.9999999E-04 H -4.649100 -0.8063000 3.0000001E-04 H -4.195400 1.626600 6.9999998E-04 H 4.062100 -2.014800 -3.9999999E-04 H 2.498600 -2.797000 -6.0000003E-04 %chk=000022817-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000022817 0 1 N 3.094709 -1.955621 0.000207 C 0.014091 -1.692858 -0.000037 C 1.061678 -0.583014 0.000016 C 0.436357 0.696260 0.000079 C -1.297015 -0.908612 -0.000012 C -1.026319 0.494071 0.000055 C 2.472114 -0.702216 0.000039 C 1.200501 1.885159 0.000151 C -2.619375 -1.384557 -0.000006 C -2.088701 1.425404 0.000124 C 3.242423 0.500102 0.000113 C 2.610306 1.764120 0.000180 C -3.685574 -0.448250 0.000067 C -3.419464 0.944232 0.000132 H 0.094370 -2.345425 0.893611 H 0.094354 -2.345362 -0.893742 H 0.724805 2.871550 0.000191 H -2.830397 -2.460574 -0.000057 H -1.892511 2.503818 0.000166 H 4.338236 0.441565 0.000127 H 3.232316 2.666714 0.000222 H -4.723112 -0.801647 0.000076 H -4.254875 1.653827 0.000201 H 4.107413 -2.027547 -0.000853 H 2.548167 -2.810641 -0.001150