%chk=000104672.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000104672 0 1 N -1.022100 1.414300 3.2800000E-02 N 1.669000 2.237000 -7.8000002E-02 C -1.736200 -1.390100 0.1023000 C -2.695000 -0.3125000 -0.4036000 C -0.3035000 -0.9184000 4.6200000E-02 C -2.396500 1.019600 0.2744000 C -1.0800000E-02 0.4607000 3.5100002E-02 C 1.331200 0.8632000 -2.3399999E-02 C 0.7372000 -1.857900 4.6599999E-02 C 2.361800 -7.8199998E-02 -3.5900000E-02 C 2.064900 -1.437600 3.5000001E-03 H -1.862100 -2.293100 -0.5063000 H -1.977600 -1.646300 1.141000 H -2.584900 -0.2033000 -1.490500 H -3.730500 -0.6136000 -0.2108000 H -3.067700 1.794100 -0.1114000 H -2.570400 0.9440000 1.354300 H -0.7913000 2.395300 0.1108000 H 0.5163000 -2.921900 7.5300001E-02 H 3.401500 0.2367000 -7.7299997E-02 H 2.866800 -2.169900 -2.2000000E-03 H 0.9594000 2.953900 -9.7000003E-02 H 2.643400 2.507300 -0.1163000 %chk=000104672-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000104672 0 1 N -1.012643 1.436702 0.088987 N 1.603484 2.281319 -0.072890 C -1.759735 -1.394284 0.090489 C -2.705417 -0.284974 -0.426149 C -0.301987 -0.944564 0.053275 C -2.416479 1.040454 0.306770 C -0.002198 0.444826 0.052698 C 1.360624 0.881866 -0.025339 C 0.760118 -1.881634 0.034659 C 2.403104 -0.071332 -0.013103 C 2.104969 -1.454302 0.029079 H -1.883703 -2.314057 -0.511950 H -2.047859 -1.661203 1.128697 H -2.553749 -0.135148 -1.511856 H -3.762753 -0.567536 -0.268686 H -3.075658 1.843269 -0.074430 H -2.642286 0.907692 1.390403 H -0.720308 2.314372 0.531889 H 0.524300 -2.953088 0.032950 H 3.445728 0.268409 -0.060064 H 2.918661 -2.187563 0.032177 H 0.989207 2.831652 -0.678166 H 2.577479 2.582424 -0.059842