%chk=000146467.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000146467 0 1 N -0.2490000 1.825200 3.9999999E-04 N 1.478700 -2.543700 -9.9999997E-05 C 0.6388000 -0.2204000 3.9999999E-04 C -0.7874000 -0.3387000 3.9999999E-04 C 0.9437000 1.141000 1.9999999E-04 C -1.312500 0.9538000 9.9999997E-05 C 1.700500 -1.149300 3.9999999E-04 C -1.681600 -1.429800 1.9999999E-04 C 2.257900 1.622400 -9.9999997E-05 C -2.688000 1.212200 -1.9999999E-04 C 3.020000 -0.6831000 -3.0000001E-04 C 3.292300 0.6828000 -6.9999998E-04 C -3.059900 -1.187400 -1.9999999E-04 C -3.553500 0.1149000 -5.0000002E-04 H -0.3326000 2.832400 3.9999999E-04 H -1.344600 -2.459500 6.9999998E-04 H 2.470600 2.686200 -3.0000001E-04 H -3.073200 2.226400 -3.9999999E-04 H 3.851000 -1.385000 -1.3000000E-03 H 4.324100 1.024600 -1.4000000E-03 H -3.751800 -2.025500 -3.0000001E-04 H -4.627600 0.2820000 -7.9999998E-04 H 2.218300 -3.144300 0.3435000 H 0.5428000 -2.915500 -7.7999998E-03 %chk=000146467-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000146467 0 1 N -0.252724 1.861327 -0.014313 N 1.497954 -2.564568 0.056626 C 0.656701 -0.251514 0.018996 C -0.798921 -0.378018 0.013820 C 0.960765 1.152189 0.001028 C -1.329997 0.963935 -0.007094 C 1.732374 -1.190493 0.037289 C -1.716268 -1.459982 0.023634 C 2.277185 1.659454 -0.000578 C -2.713451 1.232999 -0.017431 C 3.063464 -0.685210 0.035689 C 3.319911 0.706722 0.017059 C -3.104555 -1.200006 0.013236 C -3.598345 0.132274 -0.006963 H -0.333080 2.874980 -0.028781 H -1.381628 -2.503358 0.038683 H 2.486054 2.733409 -0.014546 H -3.094959 2.260009 -0.033141 H 3.903709 -1.389946 0.049612 H 4.360641 1.050862 0.016375 H -3.811901 -2.036406 0.020752 H -4.679726 0.308414 -0.014550 H 2.277186 -3.215781 0.068473 H 0.556613 -2.939591 0.058426