%chk=000124358.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124358 0 1 O -0.9440000 1.484800 -9.9999997E-05 O 2.412900 -1.575000 -9.9999997E-05 O 3.089100 0.5134000 -5.0000002E-04 O -3.368900 -1.114700 -6.9999998E-04 N 2.157900 -0.3387000 9.9999997E-05 C 0.8217000 9.3900003E-02 3.9999999E-04 C -0.3597000 -0.6856000 6.9999998E-04 C -1.406300 0.2069000 5.0000002E-04 C 0.4127000 1.407300 -1.9999999E-04 C -2.815400 7.7999998E-03 0.000000 H -0.4419000 -1.763900 8.9999998E-04 H 0.9285000 2.357300 -7.9999998E-04 H -3.441200 0.9163000 -1.9999999E-04 %chk=000124358-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000124358 0 1 O -0.949820 1.511252 -0.001457 O 2.404294 -1.619368 0.000491 O 3.127863 0.555792 0.000791 O -3.450879 -1.134588 0.003650 N 2.202009 -0.346247 0.001320 C 0.824205 0.113418 0.000127 C -0.349930 -0.711215 -0.000737 C -1.432172 0.162114 -0.002055 C 0.429783 1.450421 -0.000394 C -2.887328 -0.008009 -0.003705 H -0.392367 -1.797412 -0.000707 H 0.981321 2.385621 -0.000121 H -3.461577 0.948020 0.002797