%chk=000113705.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000113705 0 1 O 5.263800 0.7089000 -0.6913000 N -4.638400 -0.3454000 -0.1104000 N -0.1915000 0.6933000 0.3662000 N 1.206200 -1.709800 0.2928000 C -2.456700 1.611000 0.2295000 C -0.9642000 1.917100 0.4149000 C -2.747500 0.8745000 -1.084000 C -4.231600 0.5295000 -1.203800 C -0.7101000 2.600200 1.754700 C -3.869800 -1.591000 -0.1340000 C -6.072100 -0.6318000 -0.1858000 C 1.166400 0.6562000 0.1054000 C 1.874400 -0.5624000 6.8899997E-02 C -4.236800 -2.484900 1.038400 C -6.889700 0.6484000 -0.1629000 C 1.861600 1.864500 -0.1286000 C 3.259100 -0.5477000 -0.2001000 C 3.924700 0.6685000 -0.4290000 C 3.225600 1.871600 -0.3929000 C 3.938200 -1.773200 -0.2304000 C 3.252500 -2.957100 -1.9999999E-04 C 1.898800 -2.871100 0.2546000 C 6.137100 0.8306000 0.4280000 H -3.027800 2.547700 0.2583000 H -2.794400 1.009500 1.082500 H -0.6910000 2.591200 -0.4058000 H -2.102800 5.5000000E-03 -1.239200 H -2.497300 1.552600 -1.911600 H -4.420300 6.7100003E-02 -2.181400 H -4.768700 1.483600 -1.186300 H -0.6388000 -0.1763000 0.6355000 H -1.006200 1.952700 2.588700 H 0.3390000 2.864400 1.912100 H -1.293600 3.524400 1.829200 H -2.799900 -1.404400 -1.0600000E-02 H -4.003500 -2.138600 -1.075400 H -6.396600 -1.205300 0.6884000 H -6.327200 -1.215200 -1.079600 H -4.236800 -1.933500 1.985100 H -5.209400 -2.969200 0.9079000 H -3.499100 -3.290200 1.130900 H -6.562400 1.327500 0.6320000 H -6.866200 1.178500 -1.120000 H -7.941300 0.4066000 2.9999999E-02 H 1.372300 2.833200 -0.1245000 H 3.736500 2.813500 -0.5723000 H 5.004000 -1.827100 -0.4381000 H 3.761400 -3.913600 -2.1199999E-02 H 1.310300 -3.763300 0.4414000 H 5.974900 2.0099999E-02 1.145400 H 7.167500 0.7745000 6.6200003E-02 H 5.992400 1.798000 0.9194000 %chk=000113705-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000113705 0 1 O 5.091442 -0.206809 0.078317 N -4.235099 -0.522270 -0.586615 N -0.439145 1.012284 0.497898 N 0.449962 -1.532009 0.805588 C -2.612400 2.048545 0.049206 C -1.123906 2.307930 0.386035 C -2.846297 1.435699 -1.349983 C -4.201985 0.696139 -1.442307 C -0.979434 3.154044 1.678350 C -3.575644 -1.688088 -1.241216 C -5.598297 -0.847217 -0.085263 C 0.923055 0.806988 0.391103 C 1.400091 -0.559351 0.551263 C -3.017855 -2.713626 -0.234975 C -6.054861 0.074564 1.061696 C 1.879591 1.810043 0.129195 C 2.807176 -0.865954 0.440529 C 3.738626 0.193848 0.167184 C 3.268709 1.503232 0.014607 C 3.200071 -2.230794 0.610738 C 2.228568 -3.203164 0.870201 C 0.858718 -2.808345 0.957449 C 6.071713 0.841627 -0.190964 H -3.168893 3.001353 0.145592 H -3.027646 1.351881 0.806295 H -0.663082 2.869660 -0.456383 H -2.026429 0.727745 -1.580301 H -2.809294 2.225655 -2.127486 H -4.425800 0.448512 -2.509988 H -5.003394 1.380514 -1.105040 H -0.984617 0.170262 0.713512 H -1.522224 2.672307 2.512270 H 0.079739 3.253646 1.974906 H -1.396756 4.168110 1.531821 H -2.734863 -1.304709 -1.848108 H -4.275468 -2.193546 -1.955015 H -5.579624 -1.887116 0.289192 H -6.353198 -0.824395 -0.912950 H -2.234435 -2.247914 0.387872 H -3.807242 -3.108454 0.430450 H -2.572376 -3.571991 -0.773414 H -5.343772 0.010908 1.904053 H -6.113372 1.131891 0.744936 H -7.058048 -0.222892 1.420872 H 1.564496 2.850455 0.008036 H 3.961454 2.324915 -0.192053 H 4.260575 -2.485946 0.533036 H 2.500756 -4.254610 1.005029 H 0.075856 -3.550436 1.155364 H 6.071580 1.608563 0.609153 H 7.046363 0.331658 -0.215264 H 5.881918 1.330457 -1.167426