%chk=000115103.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000115103 0 1 N -2.327200 -2.6500000E-02 0.000000 N -1.037300 1.782400 9.9999997E-05 N 1.878400 1.645600 -3.0000001E-04 N 3.067200 -0.8918000 -9.9999997E-05 N -3.425300 2.053000 -9.9999997E-05 C -1.038700 -0.4944000 3.0000001E-04 C -0.2509000 0.6514000 6.0000003E-04 C -0.5076000 -1.781700 9.9999997E-05 C 1.149700 0.5081000 1.9999999E-04 C -2.274400 1.339300 -9.9999997E-05 C 1.727600 -0.7731000 9.9999997E-05 C 0.8903000 -1.888200 0.000000 C -3.528600 -0.8335000 -3.0000001E-04 C -1.333400 -3.024300 -1.9999999E-04 C 3.213700 1.489500 -1.9999999E-04 C 3.796700 0.2442000 -9.9999997E-05 H 1.347600 -2.877500 -1.3000000E-03 H -4.422300 -0.2414000 -0.1907000 H -3.457000 -1.569900 -0.8029000 H -3.617900 -1.315400 0.9761000 H -1.855600 -3.137700 -0.9547000 H -0.7132000 -3.917500 0.1353000 H -2.052800 -3.018900 0.8232000 H -4.357100 1.657700 3.3500001E-02 H -3.399000 3.068100 -6.8000001E-03 H 3.801800 2.398500 -3.9999999E-04 H 4.872200 0.1164000 -9.9999997E-05 %chk=000115103-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000115103 0 1 N -2.400857 -0.072748 0.002401 N -1.087323 1.817460 0.047728 N 1.945689 1.736553 -0.011275 N 3.124380 -0.899639 -0.020615 N -3.481746 2.117997 0.034616 C -1.055318 -0.524394 -0.003573 C -0.273116 0.675514 0.005398 C -0.483643 -1.836753 0.006872 C 1.156794 0.598921 -0.006468 C -2.342884 1.331306 0.048070 C 1.744030 -0.733881 -0.011453 C 0.916181 -1.901533 0.000849 C -3.643148 -0.844411 -0.098145 C -1.299511 -3.118470 0.025707 C 3.280966 1.534969 -0.022704 C 3.866965 0.227454 -0.026905 H 1.425984 -2.870249 0.008655 H -4.389858 -0.253698 -0.658352 H -3.470368 -1.774608 -0.655994 H -4.057226 -1.101321 0.895454 H -1.821064 -3.292933 -0.935400 H -0.639903 -3.984833 0.197643 H -2.062328 -3.116208 0.826005 H -4.360076 1.792475 0.429256 H -3.317291 3.121855 -0.003006 H 3.915386 2.428878 -0.028473 H 4.956186 0.104697 -0.035094