%chk=000001539.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000001539 0 1 N -4.486800 0.2637000 1.1000000E-03 C 0.2961000 1.822200 -1.9999999E-04 C -0.8531000 0.8357000 -6.0000003E-04 C -0.3661000 -0.4908000 -7.9999998E-04 C 1.496000 0.8984000 -3.9999999E-04 C 1.080500 -0.4521000 -6.9999998E-04 C -2.209900 1.107900 -3.0000001E-04 C -1.243500 -1.562200 -3.9999999E-04 C 2.836400 1.242500 3.9999999E-04 C 2.013800 -1.475300 -1.9999999E-04 C -3.094000 2.7600000E-02 1.9999999E-04 C -2.615900 -1.294100 3.9999999E-04 C 3.776900 0.2109000 8.9999998E-04 C 3.369800 -1.134400 5.0000002E-04 H 0.2795000 2.435800 0.9052000 H 0.2796000 2.436500 -0.9051000 H -2.568400 2.132200 -9.9999997E-05 H -0.8894000 -2.587600 -3.0000001E-04 H 3.152000 2.279800 7.9999998E-04 H 1.715000 -2.518200 -1.9999999E-04 H -3.314400 -2.128200 1.0000000E-03 H 4.837300 0.4490000 1.6000000E-03 H 4.121100 -1.919900 8.9999998E-04 H -4.839000 1.211700 0.000000 H -5.131900 -0.5152000 3.9999999E-04 %chk=000001539-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000001539 0 1 N -4.543149 0.259660 0.000345 C 0.300028 1.834244 0.000135 C -0.866982 0.847582 0.000095 C -0.370383 -0.492484 0.000062 C 1.521466 0.914845 0.000148 C 1.102532 -0.452754 0.000115 C -2.243381 1.113497 0.000142 C -1.280287 -1.573762 0.000105 C 2.886460 1.247476 0.000281 C 2.062960 -1.490578 0.000202 C -3.164228 0.021657 0.000171 C -2.666752 -1.317264 0.000146 C 3.849711 0.204447 0.000374 C 3.437319 -1.151627 0.000344 H 0.281849 2.490694 0.891532 H 0.281876 2.490815 -0.891173 H -2.617228 2.145356 0.000162 H -0.923126 -2.610178 0.000066 H 3.209398 2.295581 0.000297 H 1.756289 -2.543250 0.000161 H -3.376827 -2.153634 0.000201 H 4.918708 0.446637 0.000477 H 4.193016 -1.945830 0.000412 H -4.906095 1.207852 -0.000309 H -5.201573 -0.513082 -0.000392