%chk=000112416.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000112416 0 1 N -1.789000 1.195200 3.0000001E-04 N -1.853800 -1.194100 0.000000 N -3.812700 0.1016000 -3.0000001E-04 C 0.3019000 1.9000000E-03 1.9999999E-04 C -0.3856000 1.226900 3.0000001E-04 C 1.714200 -2.0800000E-02 9.9999997E-05 C -0.4368000 -1.196800 1.9999999E-04 C 0.3258000 2.428300 0.000000 C 2.411300 1.197800 -3.0000001E-04 C 2.370000 -1.261000 -9.9999997E-05 C 0.2429000 -2.418000 0.000000 C 1.720100 2.411700 -1.9999999E-04 C -2.446000 -2.3200000E-02 -1.9999999E-04 C 1.637700 -2.449600 -9.9999997E-05 H -2.294900 2.072300 9.9999997E-05 H -0.1977000 3.380700 0.000000 H 3.499100 1.212300 -5.0000002E-04 H 3.456600 -1.312400 -1.9999999E-04 H -0.3108000 -3.353700 -9.9999997E-05 H 2.272100 3.347400 -3.9999999E-04 H 2.156800 -3.404000 -1.9999999E-04 H -4.261000 1.011200 3.9999999E-04 H -4.414100 -0.7150000 -1.9999999E-04 %chk=000112416-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000112416 0 1 N -1.791687 1.226969 -0.000011 N -1.879786 -1.178852 0.000020 N -3.858681 0.067624 0.000002 C 0.305717 0.011282 -0.000060 C -0.374580 1.274390 -0.000043 C 1.747276 -0.018685 -0.000107 C -0.465709 -1.211475 -0.000042 C 0.336393 2.482991 -0.000072 C 2.458667 1.230087 -0.000133 C 2.395240 -1.297535 -0.000135 C 0.211114 -2.444716 -0.000073 C 1.763589 2.442799 -0.000115 C -2.475180 0.003970 0.000014 C 1.634715 -2.475033 -0.000118 H -2.304447 2.109545 -0.000187 H -0.190462 3.444474 -0.000063 H 3.554315 1.218440 -0.000169 H 3.490250 -1.340598 -0.000174 H -0.378117 -3.366026 -0.000061 H 2.318100 3.388127 -0.000141 H 2.143254 -3.446272 -0.000140 H -4.381091 0.938056 0.000548 H -4.352791 -0.820863 0.000060