%chk=000107154.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000107154 0 1 N -2.596100 0.4182000 5.8400001E-02 N 6.0999999E-03 -2.974600 -0.6946000 C -1.991200 -0.3874000 1.113900 C -0.4901000 -9.6799999E-02 1.207000 C 0.2631000 -0.4151000 -0.1035000 C -2.414500 1.844600 0.3319000 C -4.019000 0.1038000 -7.7500001E-02 C 1.727900 -1.6400000E-02 -7.0100002E-02 C -2.988800 2.671100 -0.8026000 C -4.202500 -1.374800 -0.3606000 C 2.422900 -0.1162000 1.119800 C 2.326800 0.4349000 -1.230500 C 0.1208000 -1.849600 -0.4337000 C 3.768500 0.2497000 1.150700 C 3.672600 0.8007000 -1.199600 C 4.393400 0.7080000 -8.8999998E-03 H -2.103600 -1.461300 0.9422000 H -2.456100 -0.1760000 2.086200 H -0.1223000 -0.7482000 2.012700 H -0.2805000 0.9198000 1.557200 H -0.2034000 0.1657000 -0.9101000 H -2.869300 2.145200 1.283900 H -1.356700 2.117800 0.3681000 H -4.592500 0.3863000 0.8141000 H -4.454400 0.6266000 -0.9349000 H -2.663100 2.304300 -1.782400 H -4.082200 2.713200 -0.7817000 H -2.640200 3.706500 -0.7134000 H -3.518800 -1.734100 -1.137700 H -4.087900 -1.993600 0.5348000 H -5.221900 -1.551300 -0.7235000 H 1.979700 -0.4867000 2.036800 H 1.775300 0.5090000 -2.163100 H 4.331600 0.1732000 2.076400 H 4.159600 1.156900 -2.102700 H 5.441600 0.9916000 1.4800000E-02 %chk=000107154-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000107154 0 1 N -2.642581 0.593213 0.230579 N -0.196232 -3.233121 0.729084 C -2.045071 0.069079 1.487940 C -0.504179 0.185241 1.491086 C 0.142931 -0.618549 0.311731 C -2.772722 2.077833 0.235646 C -3.911833 -0.096345 -0.142108 C 1.604631 -0.221322 0.074713 C -2.760120 2.686537 -1.179433 C -3.684313 -1.494993 -0.746052 C 2.690078 -0.990564 0.559485 C 1.874072 0.987401 -0.617333 C -0.027412 -2.067515 0.533669 C 4.020718 -0.556856 0.359891 C 3.202238 1.421722 -0.817187 C 4.282248 0.650491 -0.326518 H -2.323863 -0.995312 1.591978 H -2.450607 0.592593 2.387673 H -0.098885 -0.165431 2.458961 H -0.197685 1.241466 1.375449 H -0.467103 -0.351297 -0.578158 H -3.696716 2.399241 0.778904 H -1.919451 2.491895 0.804700 H -4.601079 -0.168427 0.736252 H -4.427223 0.531403 -0.891596 H -1.822347 2.423880 -1.700770 H -3.600907 2.317574 -1.793722 H -2.840939 3.788405 -1.128365 H -3.066909 -1.421849 -1.658690 H -3.170184 -2.176340 -0.044836 H -4.651902 -1.959479 -1.013176 H 2.497176 -1.934954 1.081920 H 1.040021 1.584544 -1.008520 H 4.851452 -1.163792 0.736953 H 3.395527 2.354399 -1.359071 H 5.313971 0.984229 -0.483277