%chk=000147027.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147027

0 1
 P   -1.068200     -0.1382000     -0.1320000    
 O  -0.9750000     -0.3587000      -1.618000    
 N  -0.6454000       1.369600      0.4013000    
 N   -2.525200     -0.5022000      0.5614000    
 C   3.8999999E-03   2.291200     -0.5249000    
 C   -3.674300     -0.7593000     -0.3004000    
 C   -1.425500       2.489900     -0.1131000    
 C   -2.989700      -1.878700      0.4280000    
 C   9.9500000E-02  -1.238500      0.7074000    
 C    1.041300       3.235700     -4.6999998E-02
 C   -5.035400     -0.3422000      0.1119000    
 C    1.528800     -0.9574000      0.3869000    
 C    2.254200     -5.6400001E-02   1.166500    
 C    2.140400      -1.595900     -0.6920000    
 C    3.590900      0.2064000      0.8671000    
 C    3.477300      -1.333300     -0.9913000    
 C    4.202500     -0.4320000     -0.2117000    
 H   0.1981000       1.946300      -1.531900    
 H   -3.529400     -0.6806000      -1.369700    
 H   -1.661800       3.260300      0.6081000    
 H   -2.199800       2.269900     -0.8357000    
 H   -3.457900      -2.297600       1.308100    
 H   -2.397200      -2.565900     -0.1603000    
 H  -0.1316000      -2.278600      0.4487000    
 H  -5.5100001E-02  -1.164200       1.791600    
 H    1.005200       4.161600     -0.6299000    
 H   0.9143000       3.495300       1.009500    
 H    2.037900       2.801800     -0.1714000    
 H   -5.179100     -0.3991000       1.196400    
 H   -5.224100      0.6903000     -0.1992000    
 H   -5.786700     -0.9810000     -0.3632000    
 H    1.791700      0.4461000       2.011700    
 H    1.585400      -2.298300      -1.308200    
 H    4.155400      0.9083000       1.473900    
 H    3.953400      -1.829700      -1.831800    
 H    5.243200     -0.2272000     -0.4451000    


%chk=000147027-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147027

0 1
P -1.026777 -0.450821 -0.233051
O -0.902994 -0.885008 -1.787458
N -0.959226 1.308892 0.103666
N -2.564273 -0.901370 0.579932
C 0.053120 2.141271 -0.684021
C -3.874972 -0.600557 -0.137804
C -1.422975 2.243120 -1.007862
C -3.368839 -2.027072 -0.062286
C 0.257591 -1.188423 0.931710
C 0.790074 3.200375 0.110091
C -4.998486 -0.082463 0.737114
C 1.687124 -0.879133 0.531111
C 2.543194 -0.184073 1.422522
C 2.195521 -1.292594 -0.729766
C 3.886159 0.084551 1.070513
C 3.535609 -1.020307 -1.081899
C 4.387022 -0.334272 -0.183371
H 0.651390 1.591201 -1.424484
H -3.784208 -0.134506 -1.130173
H -2.001833 3.100648 -0.649292
H -1.759031 1.787632 -1.948638
H -3.808141 -2.721896 0.660985
H -2.971626 -2.470593 -0.985041
H 0.053787 -2.275025 0.923871
H 0.007693 -0.799052 1.931830
H 1.174255 3.990003 -0.562561
H 0.119036 3.664676 0.853083
H 1.647825 2.755330 0.645639
H -4.994956 -0.596751 1.713342
H -4.880993 1.000281 0.922852
H -5.978616 -0.249519 0.252464
H 2.158280 0.142048 2.396471
H 1.530637 -1.802873 -1.435933
H 4.537899 0.615549 1.773629
H 3.915745 -1.342446 -2.057992
H 5.427987 -0.129124 -0.457492


