%chk=000157952.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000157952 0 1 O -1.216900 0.1340000 6.7299999E-02 N 3.042600 -0.1549000 0.5169000 N 1.665700 1.465500 -0.1235000 N -4.888500 -6.0100000E-02 0.2049000 C 1.123100 0.2420000 -0.3523000 C -0.2426000 0.1487000 -0.9671000 C 1.932100 -0.7805000 2.4400000E-02 C -2.534700 4.6300001E-02 -0.4587000 C -3.521000 1.2200000E-02 0.6978000 C 1.803300 -2.245400 -1.7500000E-02 C 2.836700 1.192200 0.4076000 H -0.4081000 1.013400 -1.620800 H -0.3216000 -0.7632000 -1.570700 H -2.728000 0.9157000 -1.099000 H -2.628500 -0.8643000 -1.063000 H 3.867700 -0.6029000 0.8932000 H -3.311800 -0.8509000 1.339700 H -3.394300 0.9027000 1.324200 H 0.7716000 -2.552300 0.1819000 H 2.087000 -2.625200 -1.004100 H 2.442300 -2.727400 0.7297000 H 3.573600 1.913800 0.7303000 H -5.093400 0.7607000 -0.3635000 H -5.534400 -3.0400001E-02 0.9927000 %chk=000157952-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000157952 0 1 O -1.128448 0.037646 -0.035784 N 3.139797 -0.247487 0.407976 N 2.126112 1.492842 -0.606005 N -4.837401 -0.249029 0.209844 C 1.226124 0.411216 -0.506868 C -0.167367 0.525486 -1.047173 C 1.834645 -0.684425 0.121414 C -2.514492 0.142749 -0.509091 C -3.423105 -0.379244 0.612567 C 1.326124 -2.051665 0.474855 C 3.272009 1.061155 -0.049474 H -0.361531 1.590533 -1.290337 H -0.299340 -0.071701 -1.978270 H -2.756978 1.204962 -0.743979 H -2.670700 -0.457066 -1.431426 H 3.854231 -0.797285 0.884331 H -3.200813 -1.449776 0.773399 H -3.156752 0.153156 1.554226 H 0.239214 -2.078242 0.300256 H 1.801795 -2.846519 -0.131961 H 1.496544 -2.293180 1.541484 H 4.188310 1.638495 0.047558 H -5.183659 0.714064 0.178307 H -5.482419 -0.876986 0.694553