%chk=000113780.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113780

0 1
 N    4.030700      0.2721000      0.1130000    
 N   0.5815000       1.708800      0.6697000    
 N   -3.920600     -0.8448000     -8.4899999E-02
 C    2.831500      -1.979500     -0.3887000    
 C    2.615800      0.3361000      0.5685000    
 C    1.845000     -0.9440000      0.1756000    
 C    3.440400      -1.382700      -1.665700    
 C    3.964900      -2.170600      0.6307000    
 C    4.100700     -3.5500001E-02  -1.333700    
 C    4.695400     -0.8339000      0.8437000    
 C    1.905100       1.600000      7.8900002E-02
 C  -0.2714000       2.593400     -0.1145000    
 C   -1.757300       2.284600      0.1345000    
 C   4.1400000E-02   4.048200      0.2338000    
 C   -2.120700      0.8192000     -0.1354000    
 C   -3.587600      0.5465000      0.1968000    
 C   -5.367900      -1.008900     -0.2311000    
 C   -3.414900      -1.720400      0.9739000    
 C   -5.914700     -0.1085000      -1.325900    
 C   -3.697400      -3.180000      0.6607000    
 H    2.326800      -2.927500     -0.5998000    
 H    2.632900      0.3990000       1.666900    
 H    1.341000      -1.355900       1.058600    
 H    1.070200     -0.7426000     -0.5746000    
 H    4.182600      -2.071900      -2.086000    
 H    2.661800      -1.239300      -2.424200    
 H    3.555200      -2.530100       1.582200    
 H    4.672000      -2.927900      0.2723000    
 H    3.647800      0.7668000      -1.926400    
 H    5.151700     -5.5000000E-02  -1.650500    
 H    5.739900     -0.9194000      0.5179000    
 H    4.743500     -0.5996000       1.914500    
 H    1.835500       1.568000      -1.014600    
 H    2.502100       2.482700      0.3389000    
 H   0.6395000       2.007400       1.641700    
 H  -0.1034000       2.445400      -1.189500    
 H   -2.011800       2.529800       1.174400    
 H   -2.372700       2.934500     -0.5007000    
 H  -0.1100000       4.250200       1.300300    
 H  -0.6137000       4.724600     -0.3264000    
 H    1.072700       4.314100     -1.9900000E-02
 H   -1.470000      0.1752000      0.4629000    
 H   -1.924500      0.5862000      -1.189800    
 H   -4.148100       1.254500     -0.4183000    
 H   -3.807400      0.8088000       1.240200    
 H   -5.607700      -2.031000     -0.5420000    
 H   -5.901100     -0.8129000      0.7077000    
 H   -2.328300      -1.626800       1.066500    
 H   -3.844200      -1.467600       1.951800    
 H   -6.900900     -0.4739000      -1.635800    
 H   -5.278400     -0.1095000      -2.217600    
 H   -6.068200      0.9218000     -0.9906000    
 H   -3.116800      -3.817900       1.336800    
 H   -3.404900      -3.439800     -0.3625000    
 H   -4.748500      -3.445600      0.8097000    


%chk=000113780-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113780

0 1
N 4.136608 0.312346 0.076475
N 0.589612 1.643321 0.476174
N -4.211403 -0.727658 -0.000870
C 3.102435 -2.066037 -0.142519
C 2.700923 0.343980 0.529107
C 2.010656 -1.043039 0.276176
C 3.699915 -1.626860 -1.507197
C 4.235389 -2.078596 0.921944
C 4.242102 -0.159716 -1.341781
C 4.885267 -0.645271 0.950954
C 1.945058 1.532373 -0.104238
C -0.343107 2.602766 -0.172870
C -1.789157 2.312343 0.303746
C 0.034113 4.092339 0.053929
C -2.318232 0.940689 -0.165089
C -3.689898 0.591086 0.449216
C -5.695871 -0.807953 0.057533
C -3.550860 -1.865134 0.695556
C -6.383658 -0.052287 -1.096244
C -3.587065 -3.172568 -0.119559
H 2.657834 -3.074470 -0.232742
H 2.748927 0.534450 1.622531
H 1.481990 -1.391373 1.182835
H 1.246256 -0.947607 -0.518963
H 4.510520 -2.320096 -1.804775
H 2.920843 -1.676196 -2.291837
H 3.814944 -2.345142 1.910989
H 4.987218 -2.850000 0.666988
H 3.688998 0.545525 -1.985755
H 5.306325 -0.093135 -1.632943
H 5.930231 -0.676961 0.591349
H 4.900494 -0.233689 1.976837
H 1.821728 1.363601 -1.192821
H 2.577055 2.443444 0.017781
H 0.624829 1.798446 1.495444
H -0.294035 2.393103 -1.262138
H -1.814617 2.365689 1.414426
H -2.455012 3.120663 -0.061909
H -0.078571 4.362991 1.122278
H -0.617905 4.764510 -0.535332
H 1.080699 4.290140 -0.241686
H -1.561690 0.176543 0.095100
H -2.419024 0.928248 -1.268076
H -4.418621 1.368085 0.149055
H -3.620438 0.642557 1.568208
H -5.979897 -1.874293 -0.006855
H -6.087727 -0.436848 1.040185
H -2.494448 -1.588242 0.864634
H -3.998468 -2.037451 1.708837
H -7.482759 -0.162308 -1.031986
H -6.041453 -0.453267 -2.066134
H -6.153942 1.028547 -1.076361
H -3.061287 -3.981685 0.421822
H -3.096358 -3.020479 -1.096555
H -4.620967 -3.514521 -0.308879


