%chk=000109106.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109106 0 1 N 0.2559000 1.613200 -3.0600000E-02 N 3.087100 -0.7497000 -8.1799999E-02 N 4.168500 6.6000000E-02 0.1763000 C -0.6204000 -0.6316000 -1.0200000E-02 C -0.7924000 0.7685000 -9.2000002E-03 C 0.6869000 -1.135700 -3.4400001E-02 C 1.769200 -0.2678000 -5.7000000E-02 C -1.737600 -1.483800 1.2500000E-02 C -2.091300 1.268900 1.4900000E-02 C 1.501600 1.086200 -5.4200001E-02 C -3.025400 -0.9562000 3.6200002E-02 C -3.202100 0.4219000 3.7500001E-02 H 0.8564000 -2.210900 -3.5900000E-02 H -1.610600 -2.564100 1.1900000E-02 H -2.256600 2.344800 1.6300000E-02 H 2.286000 1.836300 -7.7200003E-02 H -3.886100 -1.617700 5.3700000E-02 H -4.203400 0.8421000 5.6000002E-02 H 3.226000 -1.752400 -2.9600000E-02 H 4.991400 -0.3375000 -0.2690000 H 4.354900 5.0400000E-02 1.178200 %chk=000109106-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000109106 0 1 N 0.292243 1.606391 0.044146 N 3.106748 -0.830113 0.104802 N 4.210433 0.015568 0.143152 C -0.634038 -0.697258 0.021622 C -0.799621 0.744170 0.019217 C 0.693504 -1.222670 0.050949 C 1.791527 -0.343704 0.076728 C -1.806634 -1.524297 -0.005394 C -2.114644 1.304806 -0.009479 C 1.524649 1.076253 0.071500 C -3.079938 -0.949669 -0.033265 C -3.238780 0.474008 -0.035373 H 0.844496 -2.310522 0.052736 H -1.690546 -2.615440 -0.003860 H -2.199398 2.396289 -0.010281 H 2.374777 1.765510 0.090040 H -3.968715 -1.590836 -0.053737 H -4.244774 0.907159 -0.057495 H 3.245641 -1.845400 0.117249 H 4.754861 0.115078 -0.713613 H 4.696208 0.115578 1.034756