%chk=000089268.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089268

0 1
 P    2.015800     -0.4951000     -0.4793000    
 O    2.535700       1.022600     -0.7652000    
 O    3.130900      -1.039400      0.5775000    
 O    2.029200      -1.305500      -1.753800    
 N   -1.748500      0.3861000      0.5820000    
 C   -2.912200      0.9580000     -6.8700001E-02
 C   -3.292100      0.1229000      -1.295600    
 C   -4.074000       1.058600      0.9247000    
 C   -3.883700      -1.237300     -0.9255000    
 C   -4.662700     -0.3049000       1.287000    
 C   -5.053100      -1.098400      4.4000000E-02
 C  -0.5591000      0.2057000     -3.9400000E-02
 C   0.5556000     -0.3368000      0.4637000    
 C    2.862700       1.890700      0.3069000    
 C    4.451900      -1.276800      0.1203000    
 C    3.311300       3.222400     -0.2560000    
 C    5.292500      -1.772900       1.277400    
 H   -2.656100       1.973400     -0.3971000    
 H   -2.450100     -2.2900000E-02  -1.980300    
 H   -4.047500      0.6789000      -1.867300    
 H   -4.866100       1.675900      0.4816000    
 H   -3.751300       1.569200       1.840300    
 H   -4.222100      -1.748000      -1.834400    
 H   -3.108600      -1.870600     -0.4774000    
 H   -3.938600     -0.8804000       1.875900    
 H   -5.544200     -0.1643000       1.923100    
 H   -5.409000      -2.092300      0.3377000    
 H   -5.887900     -0.5970000     -0.4611000    
 H   -1.818600      8.2199998E-02   1.547800    
 H  -0.5352000      0.5801000      -1.057600    
 H   0.5408000     -0.6982000       1.488300    
 H    1.984900       2.035100      0.9435000    
 H    3.664800       1.456400      0.9097000    
 H    4.428100      -2.030600     -0.6728000    
 H    4.873700     -0.3532000     -0.2868000    
 H    2.521200       3.667300     -0.8699000    
 H    4.183500       3.092100     -0.9051000    
 H    3.569400       3.919100      0.5464000    
 H    5.310400      -1.033400       2.084800    
 H    6.319300      -1.971400      0.9577000    
 H    4.868600      -2.691500       1.696400    


%chk=000089268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089268

0 1
P 2.063588 0.352530 -0.733545
O 3.030328 1.806891 -0.514222
O 2.988880 -0.822516 0.175307
O 1.878942 0.084785 -2.294263
N -1.899168 0.561252 0.140577
C -3.148921 0.525363 -0.659356
C -3.467446 -0.904980 -1.182099
C -4.325015 1.070641 0.189917
C -3.863468 -1.869117 -0.040370
C -4.737969 0.103668 1.328838
C -5.050816 -1.309980 0.780887
C -0.649278 0.496936 -0.417607
C 0.553565 0.427680 0.249297
C 3.247030 2.316609 0.861445
C 4.272294 -1.289914 -0.415281
C 4.173935 3.524208 0.733367
C 4.835157 -2.335912 0.544081
H -2.997009 1.193588 -1.530373
H -2.593385 -1.297808 -1.735543
H -4.302012 -0.827932 -1.908811
H -5.191336 1.213054 -0.484838
H -4.063045 2.067443 0.594173
H -4.120751 -2.859849 -0.460161
H -2.991866 -2.026317 0.627248
H -3.932701 0.029947 2.090900
H -5.618254 0.515679 1.857884
H -5.299598 -1.995659 1.613282
H -5.948907 -1.254299 0.131255
H -1.987295 0.530604 1.157851
H -0.631110 0.507737 -1.516839
H 0.644525 0.372832 1.338140
H 2.272319 2.607674 1.305351
H 3.699342 1.521608 1.488636
H 4.072895 -1.716466 -1.416670
H 4.958290 -0.427317 -0.530008
H 3.717465 4.291315 0.085084
H 5.138655 3.226483 0.288213
H 4.365598 3.969116 1.728038
H 5.015978 -1.896387 1.540367
H 5.792143 -2.732075 0.155947
H 4.128019 -3.175312 0.657301


