%chk=000005845.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005845

0 1
 P   -1.373100     -0.8177000      0.3849000    
 P  -0.2005000       1.438100     -0.6322000    
 P    1.349200     -0.6209000      0.2788000    
 N   -2.346700     -0.2018000       1.563200    
 N   -2.067500      -2.195300     -0.1962000    
 N   0.1010000       2.100500      -2.111900    
 N  -0.8528000       2.601700      0.3350000    
 N    2.657800     -0.8519000       1.253700    
 N    1.599500      -1.429200      -1.135200    
 N   -1.247400      0.2370000     -0.8168000    
 N   5.0099999E-02  -1.192900       1.022900    
 N    1.190800      0.9486000     -1.6000000E-03
 C   -2.628500      -1.076300       2.694200    
 C   -1.712700      0.1038000       2.839400    
 C   -3.119500      -2.021900      -1.189500    
 C   -1.767300      -2.543400      -1.579200    
 C   0.2837000       1.166300      -3.215300    
 C  -0.9627000       1.994700      -3.102500    
 C  -0.2218000       2.799300       1.633700    
 C  -5.3700000E-02   3.804300      0.5319000    
 C    3.520600      0.3023000       1.471200    
 C    2.617300     -0.2031000       2.557900    
 C    2.984900      -1.589400      -1.558300    
 C    2.199200      -2.752900      -1.028000    
 H   -3.624900      -1.000500       3.107200    
 H   -2.190500      -2.064800       2.696900    
 H  -0.6629000     -8.5100003E-02   2.998500    
 H   -2.100100      0.9720000       3.357300    
 H   -3.936700      -2.728500      -1.130600    
 H   -3.396400      -1.018100      -1.478600    
 H   -1.115100      -1.904600      -2.155300    
 H   -1.671900      -3.601900      -1.781900    
 H    1.019700       1.454900      -3.953400    
 H   0.2090000      0.1070000      -3.021700    
 H   -1.890600       1.513000      -2.831700    
 H   -1.065700       2.843800      -3.765600    
 H  -0.8905000       3.059800       2.444100    
 H   0.6413000       2.224700       1.927300    
 H   0.9073000       3.865100      3.9900001E-02
 H  -0.6093000       4.729500      0.5984000    
 H    4.577400      8.0899999E-02   1.552200    
 H    3.296500       1.256700       1.020000    
 H    1.741000      0.3738000       2.811700    
 H    3.063400     -0.7602000       3.370400    
 H    3.149700      -1.539100      -2.627300    
 H    3.785600      -1.179600     -0.9628000    
 H    2.427100      -3.138400     -4.4799998E-02
 H    1.837500      -3.485300      -1.737700    


%chk=000005845-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005845

0 1
P -1.491928 -0.871217 0.440422
P -0.236664 1.603658 -0.658835
P 1.402180 -0.617220 0.286477
N -2.573445 -0.699873 1.842482
N -2.351774 -2.206178 -0.353851
N -0.018390 2.139027 -2.343548
N -0.659838 3.173605 0.051518
N 2.760922 -0.867518 1.416624
N 1.874104 -1.472990 -1.212462
N -1.561579 0.529355 -0.542581
N 0.056220 -1.420411 0.958991
N 1.274735 1.061437 -0.029492
C -2.386434 -1.659462 3.001111
C -1.988383 -0.200214 3.143706
C -3.483075 -1.859781 -1.302617
C -2.168840 -2.400192 -1.841097
C 0.130122 1.056691 -3.393375
C -1.148650 1.872836 -3.322363
C -0.366964 3.405999 1.515039
C 0.464017 4.105249 0.450569
C 3.680246 0.310735 1.700374
C 2.716368 -0.182772 2.762530
C 3.331071 -1.683159 -1.570934
C 2.479887 -2.857219 -1.116183
H -3.326093 -2.020093 3.430082
H -1.574117 -2.392025 2.925904
H -0.910742 0.008365 3.177931
H -2.633242 0.498692 3.684285
H -4.353642 -2.515855 -1.210866
H -3.690597 -0.795576 -1.465492
H -1.520601 -1.697520 -2.378951
H -2.088952 -3.448019 -2.145104
H 0.881266 1.284615 -4.155507
H 0.103643 0.011206 -3.060927
H -2.041338 1.377290 -2.922345
H -1.320066 2.689315 -4.030022
H -1.152830 3.950179 2.046731
H 0.125245 2.600892 2.076672
H 1.491061 3.750764 0.303767
H 0.276082 5.154741 0.205431
H 4.740358 0.044964 1.756994
H 3.432079 1.255464 1.201471
H 1.848898 0.451015 2.985892
H 3.073173 -0.801462 3.591210
H 3.556299 -1.544060 -2.632457
H 4.094494 -1.322339 -0.872394
H 2.669564 -3.257139 -0.113546
H 2.086949 -3.568798 -1.848665


