%chk=000131586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131586

0 1
 P   -4.794300       1.553500     -0.3340000    
 O   -1.183900     -0.8206000     -0.6519000    
 O  -0.6734000      -3.874400     -0.5728000    
 O    3.882200       2.479900       1.719800    
 O   -3.736200      0.3687000     -0.6427000    
 O   -4.107400       2.376300      0.8770000    
 O   -6.009800      0.7709000      0.3906000    
 O   -5.190800       2.376300      -1.524800    
 N   0.8755000     -0.8095000      0.5042000    
 N    2.623300     -0.1689000      -1.059600    
 N    1.378100      0.9114000       1.960300    
 N    3.456100       1.947400     -0.4658000    
 N    3.251400       1.604600      -2.779300    
 C    2.256000     -0.5586000      0.2595000    
 C    2.656400      0.4586000       1.329900    
 C  -5.1000002E-03  -1.584200     -0.3377000    
 C    3.146000      -1.741000     -2.2299999E-02
 C  -0.4703000      -2.840300      0.3867000    
 C    2.707400       1.209200      -1.478600    
 C    3.495700      -1.136800      -1.186900    
 C   -1.797000      -2.418200      0.9766000    
 C   0.4964000      0.1192000       1.424600    
 C   -2.330300      -1.483100     -9.6199997E-02
 C    3.385300       1.714200      0.8917000    
 C   -3.311400     -0.4545000      0.4318000    
 H    3.263000     -2.2600001E-02   2.108600    
 H   0.4757000      -1.832100      -1.290000    
 H    3.455700      -2.619600      0.5254000    
 H   0.2387000      -3.210700       1.133600    
 H    1.689500       1.615900      -1.431800    
 H    4.233200      -1.390500      -1.944900    
 H   -2.484200      -3.250200       1.158500    
 H   -1.638300      -1.887400       1.921500    
 H   -2.788600      -2.050600     -0.9158000    
 H  -0.5702000      0.1748000       1.673600    
 H    3.940100       2.786700     -0.7686000    
 H   -2.837900      0.1791000       1.187100    
 H   -4.177100     -0.9539000      0.8776000    
 H    3.155800       2.612900      -2.891000    
 H    2.689900       1.181000      -3.516700    
 H   -1.034300      -4.643200     -9.9200003E-02
 H   -4.539400       3.195900       1.198900    
 H   -6.832300       1.262300      0.6009000    


%chk=000131586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131586

0 1
P -4.902235 1.433248 -0.956069
O -1.092718 -0.767113 -0.154364
O -0.570117 -4.017369 -0.114852
O 5.037350 1.615396 1.465556
O -3.887786 0.064490 -0.934262
O -4.156577 2.633304 0.053406
O -6.110892 0.911346 0.146019
O -5.304922 1.919150 -2.403482
N 1.094395 -1.001091 0.802660
N 2.185867 0.166057 -1.188013
N 1.925931 0.637285 2.220762
N 3.612618 1.970521 -0.341387
N 2.434307 2.209273 -2.413884
C 2.348425 -0.624086 0.150295
C 3.044151 0.200262 1.297798
C 0.038240 -1.703041 0.103237
C 3.227119 -1.587606 -0.658125
C -0.581293 -2.919654 0.867149
C 2.367550 1.625864 -1.078067
C 3.189489 -0.738814 -1.736484
C -2.019897 -2.477809 1.216130
C 0.904316 -0.120236 1.889109
C -2.356569 -1.518339 0.051126
C 3.980054 1.336410 0.832097
C -3.470071 -0.535463 0.364763
H 3.695114 -0.475121 1.883961
H 0.451433 -2.072451 -0.852650
H 3.669091 -2.553830 -0.431185
H 0.020487 -3.184103 1.756514
H 1.501605 1.971190 -0.468915
H 3.661031 -0.662270 -2.714643
H -2.718220 -3.329147 1.290877
H -2.029361 -1.926826 2.176599
H -2.601560 -2.088342 -0.866636
H -0.056076 -0.082909 2.405830
H 4.287590 2.602231 -0.780974
H -3.108674 0.255791 1.047620
H -4.343809 -1.048701 0.805111
H 2.365329 3.231361 -2.435257
H 1.787076 1.756165 -3.065556
H -0.923103 -4.841124 0.306068
H -3.592197 3.283723 -0.437418
H -6.763292 1.600277 0.427339


