%chk=000027349.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000027349 0 1 O 0.5531000 -2.615500 1.018900 O -3.753300 2.381100 0.1453000 N 4.581700 0.9404000 0.6949000 N 1.615400 -0.6836000 -0.6079000 N -4.151300 8.4200002E-02 0.1365000 C 3.762100 0.1369000 -1.500900 C 4.597200 -0.1666000 -0.2536000 C 2.289500 0.4281000 -1.218800 C 0.2738000 -0.6849000 -0.3271000 C 5.140500 2.149000 8.6199999E-02 C 5.326000 0.5919000 1.906500 C -0.5178000 0.3632000 -0.6052000 C -0.2076000 -1.940200 0.3259000 C -1.907200 0.5796000 -0.2904000 C -2.868700 -0.3369000 -0.1086000 C -1.562500 -2.463600 3.3500001E-02 C -2.683600 -1.767300 -0.1773000 C -4.508100 1.415300 0.2343000 C -5.979200 1.588800 0.5079000 H 4.196600 0.9559000 -2.084800 H 3.820000 -0.7437000 -2.155400 H 5.623700 -0.4020000 -0.5657000 H 4.206600 -1.071800 0.2267000 H 2.204900 1.322000 -0.5897000 H 1.820800 0.6601000 -2.183800 H 2.132600 -1.531200 -0.3993000 H 4.486100 2.559100 -0.6887000 H 6.136600 1.980100 -0.3390000 H 5.228800 2.945300 0.8352000 H 6.382300 0.3861000 1.698400 H 4.889600 -0.2917000 2.385500 H 5.269900 1.403700 2.640300 H -8.6199999E-02 1.241900 -1.083300 H -2.012700 1.648900 -0.2703000 H -1.629900 -3.549800 3.3100002E-02 H -3.585300 -2.349100 -0.3679000 H -4.869200 -0.6261000 0.2570000 H -6.262000 2.633300 0.3502000 H -6.192400 1.309900 1.543400 H -6.569000 0.9623000 -0.1676000 %chk=000027349-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000027349 0 1 O 0.815630 -3.063305 -0.468913 O -4.016509 2.502143 -0.025239 N 4.527886 1.045714 0.632901 N 1.659293 -0.728880 -1.101311 N -4.093204 0.182036 0.373350 C 3.942587 0.068719 -1.615643 C 4.588677 -0.159412 -0.228219 C 2.448349 0.433379 -1.520113 C 0.343601 -0.741224 -0.730837 C 5.476406 2.101622 0.224760 C 4.652019 0.723805 2.070250 C -0.437781 0.439262 -0.717405 C -0.086514 -2.132876 -0.371011 C -1.787337 0.665790 -0.370488 C -2.761560 -0.259052 0.069029 C -1.425265 -2.450809 0.064938 C -2.560139 -1.662609 0.254255 C -4.651328 1.460417 0.324601 C -6.123175 1.523731 0.731438 H 4.467800 0.881113 -2.151124 H 4.073913 -0.844452 -2.230589 H 5.641231 -0.516120 -0.369911 H 4.045684 -0.970850 0.292430 H 2.344141 1.248570 -0.776061 H 2.080114 0.810205 -2.497941 H 2.072864 -1.678693 -1.079794 H 5.294674 2.404128 -0.821030 H 6.547402 1.784483 0.310737 H 5.331361 2.993518 0.859911 H 5.646448 0.288954 2.345048 H 3.869318 0.000571 2.358934 H 4.506769 1.640939 2.669249 H 0.094196 1.346710 -1.030605 H -2.134682 1.701018 -0.450728 H -1.535810 -3.521612 0.281675 H -3.443225 -2.221906 0.604148 H -4.728106 -0.560576 0.674194 H -6.710265 1.929275 -0.110681 H -6.230961 2.229091 1.573339 H -6.552703 0.550285 1.026853