%chk=000076393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076393

0 1
 P  -9.7099997E-02 -0.1971000      0.4417000    
 O  -0.1224000       1.414500      0.3845000    
 O   -1.222600     -0.6888000     -0.5989000    
 O  -0.1822000     -0.7858000       1.812100    
 O   -7.113200      0.3949000       1.273800    
 O   -7.496900     -0.5621000     -0.6643000    
 N   -6.706400     -0.1440000      0.2162000    
 C    3.968500     -0.6061000     -0.4063000    
 C    5.216400     -0.1165000      0.3313000    
 C    2.692400     -0.1954000      0.3298000    
 C    6.494400     -0.5595000     -0.3831000    
 C    1.435700     -0.6530000     -0.3986000    
 C    7.741500     -4.1400000E-02  0.3354000    
 C    9.017400     -0.4560000     -0.3969000    
 C    10.26070      2.8700000E-02  0.3318000    
 C  -0.1189000       2.111700     -0.8484000    
 C   -2.570200     -0.5560000     -0.3980000    
 C  -0.1456000       3.579100     -0.5904000    
 C   -3.038400      3.7300002E-02  0.7697000    
 C   -3.459700      -1.014900      -1.363900    
 C   -4.411500      0.1734000      0.9737000    
 C   -4.832900     -0.8786000      -1.159900    
 C   -5.308800     -0.2845000      8.8999998E-03
 H    4.000300      -1.698300     -0.5009000    
 H    3.956700     -0.1931000      -1.422200    
 H    5.193500      0.9778000      0.4022000    
 H    5.216100     -0.5072000       1.356200    
 H    2.695100     -0.6145000       1.342900    
 H    2.665100      0.8946000      0.4442000    
 H    6.527100      -1.654500     -0.4350000    
 H    6.485000     -0.1868000      -1.414700    
 H    1.444300      -1.746200     -0.4828000    
 H    1.426000     -0.2645000      -1.421800    
 H    7.761300     -0.4308000       1.360600    
 H    7.699200       1.052300      0.4060000    
 H    9.057400      -1.547800     -0.4866000    
 H    9.012800     -4.6700001E-02  -1.413800    
 H    10.26760       1.120400      0.4121000    
 H    11.16100     -0.2779000     -0.2097000    
 H    10.31220     -0.3909000       1.341600    
 H  -0.9921000       1.817200      -1.437600    
 H   0.7820000       1.857900      -1.412500    
 H   0.7201000       3.886700      6.0999999E-03
 H   -1.036200       3.858200     -1.7100001E-02
 H  -0.1425000       4.146000      -1.525900    
 H   -2.382300      0.4202000       1.542200    
 H   -3.092800      -1.477700      -2.275700    
 H   -4.746500      0.6441000       1.894500    
 H   -5.502200      -1.246600      -1.933400    


%chk=000076393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076393

0 1
P -0.060808 0.175878 0.632418
O -0.137402 1.899176 0.442535
O -1.276558 -0.421403 -0.526735
O -0.272955 -0.225459 2.152230
O -7.427965 -0.572108 1.239437
O -7.599502 -0.918748 -1.009901
N -6.907745 -0.712722 0.064072
C 4.006033 -0.569728 -0.275426
C 5.333069 -0.043379 0.316307
C 2.762703 0.061109 0.393691
C 6.580331 -0.684574 -0.333015
C 1.457200 -0.460393 -0.244852
C 7.910929 -0.152283 0.245056
C 9.158091 -0.798336 -0.400789
C 10.483824 -0.259739 0.178935
C -0.167285 2.525795 -0.912640
C -2.662648 -0.472179 -0.302079
C -0.295419 4.028033 -0.677850
C -3.257159 -0.334483 0.980148
C -3.453858 -0.700376 -1.456759
C -4.656816 -0.411682 1.094402
C -4.850366 -0.783161 -1.339288
C -5.438653 -0.632511 -0.061788
H 3.965766 -1.672653 -0.160713
H 3.985771 -0.366374 -1.366573
H 5.380136 1.058556 0.191589
H 5.349458 -0.234282 1.409207
H 2.766869 -0.171838 1.476261
H 2.813937 1.164619 0.306912
H 6.538419 -1.785845 -0.199307
H 6.559196 -0.503216 -1.428239
H 1.393852 -1.561636 -0.182691
H 1.371565 -0.174656 -1.308132
H 7.933658 -0.330097 1.340574
H 7.957615 0.948513 0.108168
H 9.111809 -1.897837 -0.261379
H 9.133244 -0.622867 -1.495886
H 10.569013 0.832692 0.025305
H 11.358991 -0.737194 -0.298804
H 10.547034 -0.450458 1.266947
H -1.027141 2.123824 -1.480608
H 0.768948 2.279824 -1.454239
H 0.558421 4.405217 -0.090406
H -1.223500 4.253725 -0.126934
H -0.321341 4.560984 -1.646374
H -2.631661 -0.184609 1.865604
H -2.957630 -0.812370 -2.424751
H -5.151376 -0.309312 2.063792
H -5.489690 -0.957637 -2.208333


