%chk=000161923.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000161923 0 1 O 4.788400 -0.9308000 -3.0000001E-04 O 2.967100 -2.164100 3.9999999E-04 O -4.788400 0.9309000 -3.9999999E-04 O -2.967100 2.164100 5.0000002E-04 N 0.7461000 -1.157600 0.000000 N -0.7461000 1.157500 0.000000 N 3.542600 -1.052300 -1.9999999E-04 N -3.542500 1.052300 -1.9999999E-04 C 1.352900 3.9900001E-02 0.000000 C -1.352800 -3.9999999E-02 -9.9999997E-05 C 0.5951000 1.215600 9.9999997E-05 C -0.5950000 -1.215600 0.000000 C 2.743400 0.1274000 -9.9999997E-05 C -2.743500 -0.1274000 -9.9999997E-05 C 1.248900 2.445900 9.9999997E-05 C -1.249000 -2.446000 1.9999999E-04 C 3.391500 1.361300 0.000000 C -3.391600 -1.361200 9.9999997E-05 C 2.640200 2.526800 9.9999997E-05 C -2.640200 -2.526800 9.9999997E-05 H 0.6698000 3.367200 0.000000 H -0.6699000 -3.367400 1.9999999E-04 H 4.474100 1.454800 0.000000 H -4.474100 -1.454600 9.9999997E-05 H 3.130100 3.495700 9.9999997E-05 H -3.130200 -3.495600 9.9999997E-05 %chk=000161923-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000161923 0 1 O 5.038286 -0.832449 -0.000532 O 3.285159 -2.279864 0.002126 O -5.038306 0.832448 -0.000975 O -3.285182 2.279865 0.002745 N 0.744566 -1.231446 -0.000043 N -0.744582 1.231446 -0.000130 N 3.766115 -1.090865 0.000540 N -3.766129 1.090862 0.000526 C 1.395036 -0.032049 0.000053 C -1.395051 0.032052 0.000058 C 0.624243 1.219350 -0.000146 C -0.624256 -1.219350 -0.000063 C 2.841256 0.087923 0.000121 C -2.841274 -0.087921 0.000117 C 1.290526 2.491201 -0.000382 C -1.290540 -2.491202 -0.000239 C 3.451807 1.342705 -0.000150 C -3.451821 -1.342704 -0.000132 C 2.679200 2.546507 -0.000403 C -2.679213 -2.546508 -0.000306 H 0.661662 3.386054 -0.000507 H -0.661674 -3.386054 -0.000301 H 4.544572 1.380303 -0.000129 H -4.544585 -1.380306 -0.000144 H 3.197796 3.509709 -0.000566 H -3.197811 -3.509708 -0.000438