%chk=000009109.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000009109 0 1 N -4.466700 -0.5860000 3.9999999E-04 C -0.3011000 0.2106000 -3.9999999E-04 C -1.697600 -5.4000001E-02 -1.9999999E-04 C 0.6413000 -0.8523000 -3.0000001E-04 C 0.1341000 1.553600 -3.0000001E-04 C 2.046300 -0.5472000 -1.9999999E-04 C -2.169300 -1.377700 -9.9999997E-05 C -2.629300 1.004100 0.000000 C 2.458600 0.8092000 -9.9999997E-05 C 1.503600 1.832000 -9.9999997E-05 C 0.1196000 -2.168600 -9.9999997E-05 C -0.8068000 2.595100 -9.9999997E-05 C -1.253400 -2.430000 -1.9999999E-04 C -2.174400 2.326400 0.000000 C 3.073900 -1.524600 0.000000 C -3.550500 -1.578700 3.0000001E-04 C 3.824800 1.140600 3.0000001E-04 C -3.985800 0.6764000 3.0000001E-04 C 4.428500 -1.181400 9.9999997E-05 C 4.804200 0.1524000 5.0000002E-04 H 1.834000 2.871300 0.000000 H 0.7779000 -3.033700 0.000000 H -0.4815000 3.633800 -9.9999997E-05 H -1.593400 -3.463100 -9.9999997E-05 H -2.876800 3.156500 1.9999999E-04 H 2.840200 -2.586100 -9.9999997E-05 H -3.974600 -2.579100 3.9999999E-04 H 4.141100 2.182300 6.0000003E-04 H -4.751900 1.446900 6.0000003E-04 H 5.184900 -1.960800 1.9999999E-04 H 5.855000 0.4253000 7.9999998E-04 %chk=000009109-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000009109 0 1 N -4.516031 -0.616341 0.000028 C -0.299442 0.227687 0.000065 C -1.707794 -0.050398 0.000057 C 0.647111 -0.849640 0.000047 C 0.144098 1.612062 0.000092 C 2.069547 -0.547764 0.000068 C -2.187441 -1.406004 0.000038 C -2.674748 1.017923 0.000063 C 2.493048 0.841341 0.000101 C 1.519868 1.886800 0.000110 C 0.137941 -2.201622 0.000036 C -0.852562 2.669231 0.000100 C -1.222675 -2.474227 0.000019 C -2.204037 2.389236 0.000080 C 3.083310 -1.560115 0.000075 C -3.598848 -1.619536 0.000036 C 3.895519 1.149788 0.000131 C -4.050500 0.671279 0.000044 C 4.442122 -1.230748 0.000088 C 4.855078 0.137916 0.000127 H 1.863774 2.928773 0.000141 H 0.840731 -3.039744 0.000036 H -0.501015 3.707813 0.000121 H -1.579889 -3.510620 0.000008 H -2.944073 3.197884 0.000081 H 2.799340 -2.616738 0.000058 H -3.999511 -2.640692 0.000006 H 4.200343 2.203027 0.000153 H -4.816319 1.456375 0.000060 H 5.196000 -2.025563 0.000084 H 5.921955 0.385815 0.000148