%chk=000057245.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000057245 0 1 N 0.3417000 -0.9675000 6.0699999E-02 N -1.057200 0.9632000 3.1399999E-02 N -3.028300 -0.5702000 -8.6599998E-02 C 2.431400 0.1317000 -0.3180000 C 1.425100 1.160500 0.1398000 C 1.803400 -1.176800 0.1352000 C 0.1950000 0.3207000 6.9100000E-02 C -2.111100 0.1385000 -3.1599998E-02 H 2.512000 0.1472000 -1.412100 H 3.430100 0.2909000 9.7700000E-02 H 1.375200 2.031100 -0.5174000 H 1.591700 1.473300 1.174700 H 2.105100 -2.004300 -0.5140000 H 2.083000 -1.421700 1.166200 H -1.113500 1.975700 4.8900001E-02 %chk=000057245-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000057245 0 1 N 0.378334 -0.997186 0.031609 N -1.103408 0.877523 0.037807 N -3.297291 -0.427818 0.117867 C 2.542087 0.153085 -0.228008 C 1.418537 1.192964 0.058582 C 1.855337 -1.227729 0.066894 C 0.182235 0.291644 0.027542 C -2.258964 0.167981 0.079123 H 2.841696 0.205992 -1.289246 H 3.441327 0.317470 0.387975 H 1.379996 2.007511 -0.687712 H 1.523110 1.657641 1.058833 H 2.122659 -2.001917 -0.672719 H 2.123910 -1.620376 1.066746 H -1.165964 1.895514 -0.011294