%chk=000124490.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124490 0 1 N 0.4087000 0.3522000 -1.4000000E-02 C 2.622500 -0.6016000 -2.8999999E-02 C 1.751700 0.5099000 7.1999999E-03 C 2.314900 1.803700 6.7100003E-02 C 4.028900 -0.4148000 -5.7999999E-03 C 3.703500 1.978100 8.9500003E-02 C 4.552800 0.8784000 5.3199999E-02 C 1.458000 2.912800 0.1040000 C 2.138300 -1.926100 -8.8900000E-02 C -0.3868000 1.445300 2.3100000E-02 C 4.887800 -1.526000 -4.2599998E-02 C 8.3800003E-02 2.738000 8.2199998E-02 C 3.004200 -3.021100 -0.1248000 C 4.377900 -2.820900 -0.1021000 C -1.817900 1.190800 -1.6000000E-03 C -2.331100 -3.9000001E-02 -3.4000000E-03 C -3.779100 -0.3168000 -2.6000000E-03 C -4.658900 0.6711000 -0.4129000 C -4.230400 -1.560300 0.4080000 C -6.028800 0.4083000 -0.4127000 C -5.600300 -1.823200 0.4082000 C -6.499500 -0.8388000 -2.0999999E-03 H 4.137900 2.974500 0.1355000 H 5.627600 1.045000 7.1800001E-02 H 1.859000 3.923100 0.1504000 H 1.068400 -2.126500 -0.1087000 H 5.967600 -1.391600 -2.5500000E-02 H -0.5758000 3.598700 0.1113000 H 2.601700 -4.028800 -0.1708000 H 5.053300 -3.670800 -0.1302000 H -2.442100 2.078100 2.1100000E-02 H -1.696300 -0.9216000 8.2000000E-03 H -4.342300 1.646700 -0.7672000 H -3.542700 -2.336900 0.7317000 H -6.729300 1.172100 -0.7382000 H -5.967100 -2.794200 0.7279000 H -7.566000 -1.044100 -3.3000000E-03 %chk=000124490-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000124490 0 1 N 0.457209 0.380328 -0.004028 C 2.681865 -0.617166 0.024211 C 1.817718 0.563405 -0.004915 C 2.421992 1.875837 -0.033531 C 4.112014 -0.443304 0.023009 C 3.858090 2.008427 -0.033651 C 4.672866 0.890456 -0.006500 C 1.544937 3.002807 -0.060882 C 2.139629 -1.934898 0.053879 C -0.363614 1.470647 -0.030808 C 4.952553 -1.599371 0.051367 C 0.163124 2.807133 -0.059490 C 2.983383 -3.054072 0.081608 C 4.399622 -2.886243 0.080273 C -1.818907 1.265759 -0.030792 C -2.415567 0.032427 -0.008567 C -3.854588 -0.261585 -0.007780 C -4.865276 0.746130 -0.024754 C -4.271568 -1.624972 0.010702 C -6.230179 0.400513 -0.023884 C -5.638381 -1.972074 0.011459 C -6.626046 -0.960192 -0.005935 H 4.291957 3.015390 -0.055865 H 5.763994 0.998240 -0.006765 H 1.967810 4.013918 -0.082873 H 1.050905 -2.037722 0.054259 H 6.040790 -1.464157 0.050295 H -0.527224 3.657019 -0.080277 H 2.556500 -4.062745 0.104486 H 5.052943 -3.765583 0.101965 H -2.424451 2.181525 -0.051216 H -1.735997 -0.830974 0.009975 H -4.581604 1.804432 -0.038316 H -3.507993 -2.412495 0.024115 H -6.991244 1.188983 -0.037025 H -5.933998 -3.027045 0.025610 H -7.689164 -1.225077 -0.005357