%chk=000115808.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000115808 0 1 N -3.493300 0.6131000 -1.5300000E-02 C -1.232700 0.1012000 -0.8272000 C -2.236100 -5.6600001E-02 0.3309000 C 0.2014000 -7.1900003E-02 -0.4121000 C 0.9533000 1.018500 9.2000002E-03 C -2.543600 -1.519900 0.6491000 C 0.7607000 -1.344000 -0.4580000 C 2.282700 0.8348000 0.3900000 C 0.3668000 2.390900 6.3699998E-02 C 2.089900 -1.527800 -7.7200003E-02 C 2.850900 -0.4384000 0.3467000 H -1.353400 1.078800 -1.310900 H -1.470400 -0.6144000 -1.627400 H -1.845000 0.4202000 1.237600 H -1.649600 -2.043200 1.001500 H -2.925300 -2.052200 -0.2294000 H -3.295000 -1.599700 1.443100 H 0.1813000 -2.200900 -0.7901000 H -3.322100 1.607100 -0.1628000 H -4.143800 0.5485000 0.7668000 H 2.890200 1.672700 0.7216000 H -0.5561000 2.406900 0.6513000 H 1.052100 3.100600 0.5411000 H 0.1675000 2.764700 -0.9458000 H 2.532800 -2.518800 -0.1119000 H 3.886000 -0.5816000 0.6426000 %chk=000115808-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000115808 0 1 N -3.619422 0.448973 -0.198771 C -1.272352 0.147314 -0.868907 C -2.290674 0.040041 0.309119 C 0.177679 -0.061808 -0.459756 C 0.968051 1.005601 0.071139 C -2.392210 -1.392305 0.867561 C 0.764259 -1.346747 -0.593173 C 2.306078 0.741795 0.459520 C 0.416133 2.417660 0.197533 C 2.098563 -1.597543 -0.203869 C 2.874787 -0.545401 0.330115 H -1.397863 1.147363 -1.331493 H -1.577538 -0.594156 -1.630448 H -1.922380 0.698924 1.134923 H -1.415103 -1.741836 1.242139 H -2.743395 -2.080714 0.077256 H -3.113132 -1.436037 1.706895 H 0.161125 -2.159811 -1.015872 H -3.649360 1.397894 -0.586761 H -4.389586 0.275820 0.455446 H 2.912444 1.561008 0.865691 H -0.518675 2.448240 0.787076 H 1.146098 3.082561 0.690301 H 0.186412 2.852365 -0.794959 H 2.527146 -2.599354 -0.320450 H 3.912116 -0.721245 0.636845