%chk=000070444.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070444

0 1
 P   0.7630000      0.1917000      0.6734000    
 O   0.5752000      -1.403100      0.8986000    
 O    2.261300      0.3149000      6.9899999E-02
 O   0.5188000      0.9973000       1.918300    
 N   -1.669500      0.3074000     -0.2040000    
 C  -0.3167000      0.5795000     -0.6951000    
 C   -2.051900       1.193700      0.8972000    
 C   -2.631300      0.4592000      -1.300500    
 C   -3.440400      0.8585000       1.414900    
 C   -2.276700     -0.4426000      -2.470600    
 C   0.8808000      -2.322400     -0.1356000    
 C    2.676900       1.560500     -0.4624000    
 C   0.6104000      -3.727700      0.3580000    
 C    4.100200       1.433000     -0.9620000    
 H  -0.2118000       1.628300     -0.9940000    
 H  -9.7000003E-03 -4.1900001E-02  -1.537100    
 H   -1.475800       1.028000       1.794200    
 H   -1.986800       2.254500      0.6278000    
 H   -3.631400      0.1458000     -0.9845000    
 H   -2.700300       1.498700      -1.645700    
 H   -4.232400       1.213800      0.7484000    
 H   -3.567100     -0.2176000       1.577600    
 H   -3.606500       1.354200       2.378800    
 H   -1.444500     -5.4099999E-02  -3.065600    
 H   -2.043300      -1.462300      -2.145600    
 H   -3.133700     -0.5095000      -3.150900    
 H   0.2584000      -2.126000      -1.011200    
 H    1.933000      -2.220900     -0.4171000    
 H    2.028000       1.846100      -1.294300    
 H    2.613200       2.325600      0.3175000    
 H   0.8377000      -4.465000     -0.4170000    
 H    1.215200      -3.948300       1.243700    
 H  -0.4384000      -3.837300      0.6533000    
 H    4.454000       2.379400      -1.380300    
 H    4.769000       1.134500     -0.1480000    
 H    4.170500      0.6576000      -1.732000    


%chk=000070444-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070444

0 1
P 0.391418 -0.018638 0.134723
O 0.525335 -1.771367 -0.113916
O 1.950438 0.604051 -0.403123
O 0.070536 0.254440 1.674891
N -2.123377 1.013830 -1.018916
C -0.753071 0.804606 -1.296299
C -2.546624 2.191513 -0.226906
C -3.079047 -0.095218 -1.219382
C -2.803329 1.947114 1.280365
C -2.977787 -1.276364 -0.220738
C 1.163535 -2.289472 -1.350525
C 3.090185 0.607268 0.557580
C 1.446680 -3.771109 -1.105384
C 3.970795 1.807968 0.215779
H -0.209431 1.750158 -1.462696
H -0.602059 0.129920 -2.158370
H -1.759962 2.961950 -0.342042
H -3.465417 2.600730 -0.695455
H -4.094499 0.341494 -1.174454
H -2.944868 -0.484909 -2.250760
H -3.664117 1.271373 1.435188
H -1.916218 1.504454 1.766519
H -3.041796 2.908138 1.774679
H -1.988049 -1.766306 -0.261323
H -3.142664 -0.944279 0.817858
H -3.742497 -2.036992 -0.468168
H 0.473370 -2.157766 -2.210828
H 2.093346 -1.724486 -1.557519
H 2.693906 0.669034 1.589519
H 3.642127 -0.345600 0.442144
H 1.910612 -4.226934 -2.000401
H 2.131285 -3.895147 -0.249327
H 0.511521 -4.311558 -0.879888
H 4.858779 1.828262 0.875461
H 4.316199 1.753551 -0.831232
H 3.412147 2.749792 0.351046


