%chk=000135498.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000135498 0 1 N 1.322000 2.003200 0.000000 N -3.811500 -1.891600 3.9999999E-04 C -0.5029000 -0.1385000 -9.9999997E-05 C 0.9120000 -0.3793000 -9.9999997E-05 C -0.9615000 1.195400 -1.9999999E-04 C 1.775300 0.7420000 1.9999999E-04 C -1.495200 -1.150800 -3.0000001E-04 C -2.335400 1.493600 -1.9999999E-04 C 1.500900 -1.668600 -3.9999999E-04 C -1.1200000E-02 2.206100 -1.9999999E-04 C -2.860700 -0.8496000 9.9999997E-05 C -3.280700 0.4731000 1.9999999E-04 C 3.152900 0.5423000 3.9999999E-04 C 2.883900 -1.843500 -1.9999999E-04 C 3.712100 -0.7341000 3.0000001E-04 H -1.208900 -2.200200 -3.9999999E-04 H -2.677700 2.526400 -1.9999999E-04 H 0.8893000 -2.566800 -6.9999998E-04 H -0.2995000 3.254000 -1.9999999E-04 H -4.338100 0.7238000 3.9999999E-04 H 3.823500 1.400300 6.0000003E-04 H 3.307100 -2.843300 -5.0000002E-04 H 4.790900 -0.8561000 5.0000002E-04 H -4.799400 -1.675300 1.0000000E-03 H -3.506600 -2.855900 8.9999998E-04 %chk=000135498-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000135498 0 1 N 1.344215 2.078976 0.000009 N -3.838926 -1.903124 0.000157 C -0.525982 -0.156470 0.000056 C 0.919630 -0.396186 0.000023 C -0.963285 1.218071 0.000047 C 1.801293 0.749205 0.000015 C -1.500605 -1.188428 0.000081 C -2.361971 1.505522 0.000079 C 1.504102 -1.697603 -0.000015 C 0.024426 2.270535 0.000017 C -2.884181 -0.890010 0.000117 C -3.309013 0.483912 0.000128 C 3.214582 0.552879 -0.000028 C 2.895819 -1.870336 -0.000041 C 3.759798 -0.737108 -0.000046 H -1.189620 -2.239184 0.000093 H -2.685486 2.553795 0.000092 H 0.861111 -2.584619 -0.000020 H -0.319977 3.314535 0.000031 H -4.380992 0.715942 0.000172 H 3.843373 1.448759 -0.000040 H 3.320392 -2.880505 -0.000061 H 4.846556 -0.876573 -0.000069 H -4.830831 -1.684216 0.000264 H -3.563828 -2.881172 0.000238