%chk=000056290.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000056290 1 1 N -2.206400 2.9000000E-03 2.4000001E-03 N 1.508500 0.6907000 -7.4999998E-03 N 3.825400 0.6993000 9.1000004E-03 N 2.798500 -1.335500 2.0000001E-03 C -0.9262000 0.8255000 -2.4499999E-02 C -3.409100 0.9340000 -5.3700000E-02 C -2.233000 -0.9330000 -1.197400 C -2.257400 -0.8148000 1.285000 C 0.2756000 -9.9799998E-02 -1.6000001E-02 C 2.624100 3.0600000E-02 6.9999998E-04 H -0.9311000 1.487700 0.8497000 H -0.9427000 1.447100 -0.9281000 H -3.357000 1.509600 -0.9826000 H -4.321300 0.3305000 -3.0300001E-02 H -3.370300 1.599900 0.8135000 H -1.521000 -1.750000 -1.056500 H -3.239000 -1.359700 -1.269100 H -2.009600 -0.3562000 -2.099800 H -1.539000 -1.636600 1.240500 H -2.056300 -0.1535000 2.132900 H -3.263100 -1.238400 1.374500 H 0.2903000 -0.7298000 -0.9104000 H 0.2793000 -0.7362000 0.8731000 H 3.860500 1.713000 9.3999999E-03 H 4.709200 0.2021000 1.5900001E-02 H 3.727500 -1.743000 8.0000004E-03 H 2.017700 -1.981900 -4.3000001E-03 %chk=000056290-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000056290 1 1 N -2.258983 -0.040355 -0.000558 N 1.496777 0.519124 -0.016902 N 3.780641 0.952159 -0.022612 N 3.096197 -1.298898 0.030199 C -0.832106 0.573597 -0.021830 C -3.261353 1.113136 -0.040620 C -2.482647 -0.932641 -1.217752 C -2.482228 -0.844662 1.276764 C 0.361287 -0.406143 0.002842 C 2.734316 0.046777 -0.003184 H -0.757686 1.239697 0.853989 H -0.762535 1.189752 -0.933914 H -3.106645 1.690142 -0.964696 H -4.284429 0.706905 -0.018390 H -3.096023 1.761901 0.832637 H -1.817220 -1.805356 -1.160287 H -3.532104 -1.266069 -1.230554 H -2.260835 -0.356053 -2.128594 H -1.803153 -1.708680 1.290636 H -2.278353 -0.199203 2.144597 H -3.526731 -1.192386 1.304413 H 0.328617 -1.085940 -0.882707 H 0.326277 -1.044707 0.918659 H 3.541349 1.939695 -0.046354 H 4.757536 0.675044 -0.014186 H 4.068205 -1.599018 0.039660 H 2.385928 -2.023319 0.045246