%chk=000156980.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000156980 0 1 N 1.857000 0.6390000 -3.9999999E-04 N 0.2755000 -1.219300 -5.0000002E-04 C 1.525800 -0.7053000 -9.9999997E-05 C -1.003900 -0.6251000 -9.9999997E-05 C -1.282900 0.7501000 3.0000001E-04 C 1.041200 1.760700 -5.0000002E-04 C -0.2915000 1.830600 -1.9999999E-04 C 2.701300 -1.438300 5.0000002E-04 C 3.244000 0.7209000 -1.9999999E-04 C -2.100300 -1.524900 -3.9999999E-04 C 3.782300 -0.5409000 6.9999998E-04 C -2.633000 1.174000 6.9999998E-04 C -3.424100 -1.089200 -3.0000001E-04 C -3.691400 0.2676000 3.9999999E-04 H 0.2165000 -2.236500 -3.9999999E-04 H 1.581800 2.705900 -7.9999998E-04 H -0.7062000 2.838900 -1.9999999E-04 H 2.762400 -2.518600 8.9999998E-04 H 3.734100 1.686400 -3.9999999E-04 H -1.920000 -2.599500 -7.9999998E-04 H 4.836100 -0.7804000 1.3000000E-03 H -2.880000 2.235200 1.0000000E-03 H -4.236200 -1.809500 -6.0000003E-04 H -4.716400 0.6253000 6.0000003E-04 %chk=000156980-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000156980 0 1 N 1.893979 0.647165 -0.000187 N 0.243176 -1.225239 -0.000581 C 1.546451 -0.709663 -0.000062 C -1.041575 -0.639610 -0.000279 C -1.313379 0.771127 -0.000058 C 1.060605 1.790623 -0.000320 C -0.301840 1.842446 -0.000240 C 2.729722 -1.463674 0.000346 C 3.311082 0.745012 0.000205 C -2.134466 -1.552458 -0.000269 C 3.840643 -0.538804 0.000596 C -2.675916 1.183321 0.000252 C -3.471799 -1.110797 0.000052 C -3.753951 0.274844 0.000339 H 0.230386 -2.245403 -0.000724 H 1.629780 2.725093 -0.000511 H -0.716940 2.856985 -0.000352 H 2.785267 -2.552457 0.000474 H 3.792686 1.720476 0.000235 H -1.926127 -2.631187 -0.000492 H 4.898834 -0.793454 0.000970 H -2.883796 2.260652 0.000451 H -4.284106 -1.845933 0.000048 H -4.786616 0.638034 0.000607