%chk=000124995.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124995 0 1 O -2.665100 -0.1502000 0.3714000 O -0.4043000 2.584400 -0.7810000 O -4.433500 -0.7095000 -1.005200 N -0.4514000 0.5061000 -0.4209000 N -0.3982000 1.714800 9.8399997E-02 C 0.2282000 -0.4881000 0.4141000 C 1.719800 -0.4332000 0.2516000 C -1.807800 3.9200000E-02 -0.7739000 C 2.334200 -1.210400 -0.7233000 C 2.471400 0.3947000 1.077400 C 3.719900 -1.159300 -0.8745000 C 3.857100 0.4459000 0.9260000 C 4.481300 -0.3312000 -4.9899999E-02 C -3.948200 -0.5231000 0.1024000 C -4.703300 -0.6802000 1.387200 H -8.6300001E-02 -1.504900 0.1362000 H -4.7400001E-02 -0.3959000 1.475600 H -1.735700 -0.9103000 -1.320300 H -2.281000 0.7600000 -1.454800 H 1.751700 -1.857400 -1.373400 H 1.999000 1.000900 1.845400 H 4.206000 -1.763800 -1.634700 H 4.450300 1.089700 1.568900 H 5.560300 -0.2914000 -0.1675000 H -4.239700 -1.459800 1.996900 H -4.720900 0.2707000 1.925700 H -5.733600 -0.9755000 1.168600 %chk=000124995-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000124995 0 1 O -2.398543 -0.130038 0.412188 O -1.407959 3.089913 1.433183 O -3.070777 -0.272588 -1.814809 N -0.470933 1.049867 1.121246 N -0.558690 2.241046 1.867929 C 0.457285 0.039066 1.668053 C 1.589951 -0.311017 0.708760 C -1.293537 0.785775 -0.034446 C 1.809778 -1.653313 0.315632 C 2.450954 0.702847 0.215126 C 2.876219 -1.982327 -0.553217 C 3.513356 0.377282 -0.655281 C 3.729854 -0.967312 -1.040912 C -3.246269 -0.579945 -0.615415 C -4.365542 -1.424844 -0.049871 H -0.116387 -0.868418 1.931972 H 0.846016 0.482306 2.603229 H -0.719002 0.287465 -0.832066 H -1.732395 1.732499 -0.391537 H 1.146445 -2.443505 0.689287 H 2.286179 1.745242 0.514469 H 3.036812 -3.024476 -0.850507 H 4.173489 1.167154 -1.030408 H 4.554897 -1.219635 -1.716112 H -4.035756 -1.975649 0.844341 H -5.202053 -0.765996 0.247126 H -4.730593 -2.119198 -0.821557