%chk=000145690.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000145690 0 1 O -4.996500 0.2923000 -1.4000000E-03 O -4.195900 -1.751800 -1.9999999E-04 N 0.7317000 -1.219900 3.0000001E-04 N 1.157200 1.501200 0.000000 N -4.029500 -0.5078000 -9.9999997E-05 C -0.3085000 -0.3713000 3.9999999E-04 C -9.2399999E-02 1.010600 9.9999997E-05 C 1.981100 -0.7294000 0.000000 C 2.197300 0.6525000 0.000000 C -1.615100 -0.8552000 6.9999998E-04 C -1.189000 1.870200 0.000000 C -2.707800 9.8999999E-03 7.9999998E-04 C -2.493500 1.380000 3.9999999E-04 C 3.077700 -1.589200 -1.9999999E-04 C 3.504100 1.136200 -9.9999997E-05 C 4.382300 -1.099200 -3.9999999E-04 C 4.596700 0.2710000 -3.0000001E-04 H -1.757300 -1.934900 6.9999998E-04 H -1.032800 2.947100 -3.0000001E-04 H -3.311000 2.095800 9.9999997E-05 H 2.921900 -2.666200 -1.9999999E-04 H 3.684800 2.209300 -9.9999997E-05 H 5.223300 -1.785600 -6.0000003E-04 H 5.607200 0.6677000 -3.0000001E-04 %chk=000145690-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000145690 0 1 O -5.057704 0.340510 -0.000487 O -4.269264 -1.800140 -0.000168 N 0.732945 -1.293739 0.000073 N 1.178248 1.578064 -0.000069 N -4.095616 -0.521889 0.000321 C -0.308337 -0.400367 0.000103 C -0.084498 1.047114 0.000029 C 1.995845 -0.763566 -0.000029 C 2.221549 0.687248 -0.000100 C -1.648975 -0.905547 0.000200 C -1.219399 1.930527 0.000046 C -2.703741 0.000068 0.000235 C -2.511271 1.424133 0.000139 C 3.127583 -1.649283 -0.000061 C 3.568366 1.184472 -0.000200 C 4.417857 -1.129127 -0.000160 C 4.639019 0.294975 -0.000231 H -1.821973 -1.984349 0.000272 H -1.023789 3.006580 -0.000010 H -3.390565 2.072437 0.000145 H 2.931615 -2.725668 -0.000003 H 3.711146 2.269172 -0.000253 H 5.280792 -1.803313 -0.000184 H 5.666166 0.674986 -0.000309