%chk=000010539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010539

0 1
 P   -1.955000      0.1972000      0.3274000    
 O   -2.381900      0.2657000       1.775700    
 N   -1.103900      -1.181300     -5.9599999E-02
 N  -0.9368000       1.433000     -0.1320000    
 N   -3.217200      0.2478000     -0.7508000    
 C    1.071700     -1.0700000E-02 -0.2076000    
 C    2.566500     -9.5500000E-02  0.1752000    
 C   0.3043000      -1.235800      0.3487000    
 C   0.4681000       1.330500      0.2779000    
 C    3.183700      -1.413200     -0.3124000    
 C    3.344300       1.104200     -0.3824000    
 C   0.9319000      -2.545200     -0.1443000    
 C    1.255100       2.520800     -0.2835000    
 C    2.414100      -2.622300      0.2110000    
 C    2.736700       2.428200      7.1199998E-02
 C   -4.136500     -0.8822000     -0.7251000    
 C   -4.545100      0.4589000     -0.1895000    
 H    1.004700     -3.6400001E-02  -1.307200    
 H    2.646700     -7.0200004E-02   1.271600    
 H   0.3427000      -1.219600       1.445600    
 H   0.5093000       1.370400       1.374400    
 H    4.227900      -1.480900      1.5699999E-02
 H    3.193400      -1.438300      -1.409600    
 H    3.352800       1.067400      -1.479200    
 H    4.389800       1.056600     -5.5300001E-02
 H   0.8224000      -2.634100      -1.233300    
 H   0.4100000      -3.403000      0.2978000    
 H   0.8510000       3.461800      0.1099000    
 H    1.149400       2.562100      -1.375700    
 H   -1.163300      -1.449100      -1.042400    
 H   -1.275200       2.379200      3.9600000E-02
 H    2.844700      -3.540300     -0.2046000    
 H    2.525700      -2.682700       1.300600    
 H    2.859500       2.533900       1.156200    
 H    3.278700       3.259700     -0.3933000    
 H   -3.947700      -1.675800     -1.5200000E-02
 H   -4.529400      -1.188200      -1.684600    
 H   -5.214400       1.060700     -0.7899000    
 H   -4.656000      0.5712000      0.8789000    


%chk=000010539-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000010539

0 1
P -2.030460 -0.043363 0.907158
O -3.363951 -0.053032 1.800604
N -0.978403 -1.390445 1.092425
N -0.955421 1.274727 1.157948
N -2.375088 0.003268 -0.877648
C 0.907609 -0.050074 0.135323
C 2.445154 -0.055768 -0.116294
C 0.484654 -1.354954 0.870222
C 0.505936 1.228351 0.926727
C 2.880151 -1.322114 -0.893092
C 2.897895 1.235100 -0.840836
C 0.919905 -2.609242 0.074172
C 0.957261 2.508514 0.182507
C 2.443501 -2.617829 -0.175241
C 2.480565 2.506297 -0.069497
C -3.624694 -0.725915 -1.344582
C -3.602475 0.790091 -1.308824
H 0.377626 -0.025094 -0.841971
H 2.948287 -0.079218 0.877665
H 1.009328 -1.369919 1.855048
H 1.034442 1.193596 1.909117
H 3.979917 -1.310023 -1.027256
H 2.433036 -1.294710 -1.908945
H 2.449659 1.256546 -1.856227
H 3.997292 1.212700 -0.976799
H 0.373934 -2.612609 -0.889823
H 0.612845 -3.519904 0.627493
H 0.663786 3.399591 0.773746
H 0.409695 2.558990 -0.779224
H -1.387726 -2.263582 1.425129
H -1.349207 2.134280 1.541023
H 2.724855 -3.505142 -0.773772
H 2.978907 -2.701266 0.793140
H 3.018492 2.542407 0.900406
H 2.773471 3.413574 -0.631425
H -4.239439 -1.224947 -0.584505
H -3.507149 -1.255536 -2.295077
H -3.468610 1.360493 -2.233164
H -4.202881 1.270661 -0.525750


