%chk=000069162.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000069162 0 1 O 2.780200 1.905700 2.4000001E-03 O -1.384900 -2.942200 7.9999998E-04 O 0.7620000 -2.483800 -6.0000003E-04 N 1.628600 -0.1507000 -6.0000003E-04 N -0.4376000 -2.121600 1.9999999E-04 C 0.2817000 0.2254000 -7.9999998E-04 C -0.7349000 -0.7297000 9.9999997E-05 C -2.389000 1.031200 1.9999999E-04 C -2.070200 -0.3268000 6.0000003E-04 C -3.7000000E-02 1.583400 -1.0000000E-03 C -1.372300 1.986200 -6.9999998E-04 C -3.816600 1.462700 1.9999999E-04 C 2.755300 0.6793000 -5.0000002E-04 C 4.034700 -0.1191000 -1.9999999E-04 H -2.883900 -1.048600 3.1000001E-03 H 0.6853000 2.386400 -1.5000000E-03 H -1.608500 3.047200 8.9999998E-04 H 1.827400 -1.144700 -6.0000003E-04 H -4.425700 0.7986000 -0.6224000 H -4.212200 1.452000 1.020700 H -3.928800 2.474000 -0.4053000 H 4.086700 -0.7341000 0.9026000 H 4.893700 0.5575000 -1.9200001E-02 H 4.071100 -0.7625000 -0.8838000 %chk=000069162-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000069162 0 1 O 2.820256 1.937896 0.070200 O -1.465350 -2.963204 -0.122377 O 0.772772 -2.583231 -0.092837 N 1.682630 -0.127990 -0.003998 N -0.468233 -2.148513 -0.087084 C 0.336841 0.270316 0.000166 C -0.723076 -0.704278 -0.039498 C -2.455833 1.041514 0.006681 C -2.088028 -0.311919 -0.036006 C -0.053321 1.642883 0.042422 C -1.406697 2.006889 0.045100 C -3.910071 1.470837 0.014044 C 2.836813 0.674718 0.030137 C 4.126901 -0.138182 0.018585 H -2.842460 -1.102523 -0.067873 H 0.735119 2.396651 0.071684 H -1.663501 3.072725 0.077968 H 1.794582 -1.158992 -0.036789 H -4.589681 0.605344 -0.056352 H -4.159324 2.021210 0.940674 H -4.132027 2.145517 -0.833634 H 4.200868 -0.773285 0.920556 H 4.981421 0.552803 -0.002804 H 4.174499 -0.801386 -0.864364