%chk=000143643.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000143643 0 1 N 3.182400 0.000000 1.9999999E-04 C 1.091300 -0.7092000 5.0000002E-04 C 1.091200 0.7091000 3.0000001E-04 C -1.228500 -0.7322000 0.000000 C -1.228500 0.7321000 0.000000 C -4.1499998E-02 -1.511600 3.0000001E-04 C -4.1499998E-02 1.511500 9.9999997E-05 C 2.395000 -1.133900 5.0000002E-04 C 2.395000 1.133800 0.000000 C -2.458500 -1.400100 -3.9999999E-04 C -2.458500 1.400100 1.9999999E-04 C 4.628000 1.9999999E-04 -1.1000000E-03 C -3.663000 -0.6953000 -3.9999999E-04 C -3.663000 0.6955000 -9.9999997E-05 H -2.9200001E-02 -2.593800 1.9999999E-04 H -2.9200001E-02 2.593700 0.000000 H 2.838700 -2.121100 -7.9999998E-04 H 2.838700 2.121000 -1.8000000E-03 H -2.498600 -2.488200 -5.0000002E-04 H -2.498500 2.488200 3.0000001E-04 H 4.985900 -0.8940000 0.5158000 H 4.965200 2.0999999E-03 -1.040400 H 4.985600 0.8924000 0.5191000 H -4.605100 -1.236400 -6.9999998E-04 H -4.605000 1.236600 -1.9999999E-04 %chk=000143643-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000143643 0 1 N 3.285451 0.000031 0.024591 C 1.143459 -0.737906 0.009518 C 1.143459 0.737954 0.009515 C -1.305004 -0.735558 0.001117 C -1.305007 0.735583 0.001109 C -0.081571 -1.447709 0.005915 C -0.081581 1.447745 0.005898 C 2.502375 -1.149210 0.019160 C 2.502372 1.149265 0.019181 C -2.576974 -1.421501 -0.003581 C -2.576984 1.421514 -0.003595 C 4.754899 0.000059 -0.022916 C -3.776694 -0.720971 -0.007905 C -3.776698 0.720975 -0.007914 H -0.093876 -2.544270 0.006164 H -0.093895 2.544305 0.006140 H 2.949740 -2.139897 0.022748 H 2.949725 2.139958 0.022768 H -2.576976 -2.518800 -0.003521 H -2.576996 2.518813 -0.003552 H 5.142897 -0.895699 0.488302 H 5.115475 0.002039 -1.067131 H 5.143058 0.893782 0.491762 H -4.731123 -1.259368 -0.011329 H -4.731130 1.259366 -0.011346