%chk=000054320.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000054320 0 1 O -6.209200 2.327900 0.2051000 N 4.508200 -4.7400001E-02 6.0999999E-03 N 1.652900 -0.4088000 1.1100000E-02 N -3.921300 -1.118900 2.1600001E-02 C 3.626900 0.9232000 0.6549000 C 3.894100 -1.207100 -0.6404000 C 2.330200 0.2573000 1.123500 C 2.470800 -0.8855000 -1.104000 C 5.889600 0.1268000 4.4000000E-03 C 0.2716000 -0.5845000 1.4000000E-02 C 6.469100 1.417200 2.7200000E-02 C 6.771300 -0.9794000 -1.9600000E-02 C -0.4491000 -0.7337000 1.222200 C -0.4682000 -0.6214000 -1.191300 C 7.853000 1.591900 2.5599999E-02 C 8.155200 -0.8047000 -2.1000000E-02 C 8.696000 0.4810000 1.6000000E-03 C -1.832800 -0.9100000 1.224900 C -1.851800 -0.7977000 -1.188400 C -2.534100 -0.9419000 1.9800000E-02 C 10.17560 0.6676000 -1.0000000E-03 C -4.637000 -3.7500001E-02 7.7399999E-02 C -6.109400 -6.5600000E-02 8.5800000E-02 C -6.831400 1.116600 0.1491000 C -6.748900 -1.295200 3.0600000E-02 C -8.225400 1.068300 0.1571000 C -8.142900 -1.343200 3.8800001E-02 C -8.881100 -0.1616000 0.1021000 C -5.921800 2.966300 -1.037200 H 3.398400 1.731900 -5.0299998E-02 H 4.112100 1.367700 1.532500 H 3.876800 -2.047100 6.5099999E-02 H 4.471900 -1.516800 -1.520000 H 2.549800 -0.4794000 1.906200 H 1.692300 1.035100 1.561300 H 2.497100 -0.1177000 -1.887200 H 2.045400 -1.797900 -1.539900 H 5.842200 2.306100 3.2699998E-02 H 6.384800 -1.996100 -2.4700001E-02 H 6.6799998E-02 -0.7269000 2.179700 H 2.9300001E-02 -0.4992000 -2.150800 H 8.262600 2.598500 3.8500000E-02 H 8.802000 -1.677900 -3.8899999E-02 H -2.355200 -1.025100 2.171000 H -2.390000 -0.8191000 -2.132500 H 10.54410 0.7328000 -1.029600 H 10.45970 1.581200 0.5322000 H 10.67990 -0.1655000 0.5005000 H -4.146400 0.9517000 0.1291000 H -6.201000 -2.231600 -1.9200001E-02 H -8.807400 1.984700 0.2074000 H -8.653900 -2.300600 -4.1000000E-03 H -9.966500 -0.1991000 0.1087000 H -6.851400 3.240100 -1.546400 H -5.319300 2.319300 -1.682600 H -5.355300 3.878300 -0.8304000 %chk=000054320-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000054320 0 1 O -6.545653 2.145354 0.527132 N 4.728839 -0.075695 -0.007864 N 1.821339 -0.272999 -0.188312 N -3.846596 -0.752054 -0.572503 C 3.879505 1.123522 -0.083670 C 4.045602 -1.379215 -0.023282 C 2.477743 0.853201 0.499042 C 2.703040 -1.296981 -0.777156 C 6.129152 0.020589 0.063333 C 0.426452 -0.370318 -0.268966 C 6.803457 1.249548 -0.213001 C 6.934121 -1.105093 0.419600 C -0.421814 0.451936 0.542148 C -0.205695 -1.306291 -1.148107 C 8.207801 1.336744 -0.131473 C 8.337589 -0.996949 0.484939 C 9.011436 0.220274 0.211014 C -1.819481 0.360740 0.455611 C -1.604196 -1.405320 -1.206723 C -2.449592 -0.564671 -0.430466 C 10.527228 0.316204 0.258245 C -4.716158 0.167724 -0.210073 C -6.161999 -0.075262 -0.313467 C -7.100575 0.939697 0.061580 C -6.670076 -1.315250 -0.787109 C -8.493651 0.710926 -0.041151 C -8.054570 -1.549265 -0.892065 C -8.965460 -0.532859 -0.517886 C -7.464586 3.215591 0.917837 H 3.778419 1.493972 -1.128433 H 4.338779 1.936242 0.510683 H 3.867230 -1.765342 1.005136 H 4.679791 -2.118907 -0.547487 H 2.562173 0.670866 1.593131 H 1.872323 1.768380 0.360546 H 2.896361 -1.098411 -1.854281 H 2.213432 -2.286062 -0.704499 H 6.237401 2.136066 -0.515873 H 6.466302 -2.059598 0.680873 H 0.016407 1.135923 1.275796 H 0.396062 -1.943119 -1.803231 H 8.690161 2.297631 -0.352240 H 8.922000 -1.881500 0.769469 H -2.429677 0.985960 1.118217 H -2.082971 -2.125790 -1.878135 H 10.982029 0.055368 -0.718068 H 10.860628 1.338815 0.510640 H 10.952991 -0.372689 1.010103 H -4.423865 1.165381 0.164584 H -5.934791 -2.076658 -1.066530 H -9.211409 1.485591 0.244047 H -8.424931 -2.511682 -1.260497 H -10.045176 -0.704088 -0.594537 H -8.116066 2.901123 1.756332 H -8.089763 3.541404 0.063913 H -6.818143 4.044694 1.241434