%chk=000046354.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046354

0 1
 P   -4.169900      0.8461000      0.7861000    
 O   0.3946000      -1.261000     -0.1880000    
 O   -4.175900     -0.6424000      0.1861000    
 O   -5.685100       1.045200       1.324400    
 O   -4.128800       1.761000     -0.5504000    
 O    5.593400       2.823200     -6.9300003E-02
 O    4.061000       2.659300      -1.632600    
 O  -0.7762000      -2.687500      -1.574900    
 O   -3.090900       1.135300       1.790400    
 N    4.646000       2.209800     -0.6177000    
 C    2.761200     -0.9467000     -0.1254000    
 C    3.392000      -1.469300      0.9992000    
 C    1.628500      -1.682100     -0.7794000    
 C    3.171500      0.2686000     -0.6646000    
 C    4.443600     -0.7695000       1.590700    
 C    4.223100      0.9684000     -7.2999999E-02
 C    4.859200      0.4493000       1.054700    
 C    2.965400      -2.772700       1.590300    
 C  -0.7255000      -1.850800     -0.6882000    
 C   -3.103300      -1.166000     -0.5075000    
 C   -1.886400      -1.291200      4.4199999E-02
 C   -3.392200      -1.583400      -1.917000    
 C   -6.756200      0.7905000      0.4321000    
 C   -4.249200       3.165800     -0.4103000    
 H    1.608200      -1.452100      -1.852800    
 H    1.740400      -2.768600     -0.6924000    
 H    2.659100      0.6555000      -1.542300    
 H    4.950600      -1.160600       2.468800    
 H    5.682000      0.9666000       1.541800    
 H    1.889100      -2.779600       1.791100    
 H    3.464400      -2.963100       2.547200    
 H    3.219800      -3.599900      0.9198000    
 H   -1.705200     -0.9670000       1.063800    
 H   -3.498900      -2.670500      -1.985500    
 H   -2.622000      -1.241900      -2.615500    
 H   -4.334900      -1.138800      -2.256200    
 H   -6.762300     -0.2626000      0.1400000    
 H   -6.684900       1.423300     -0.4555000    
 H   -7.694500       1.015300      0.9459000    
 H   -5.193600       3.422300      7.5900003E-02
 H   -4.225000       3.620300      -1.403700    
 H   -3.413000       3.551400      0.1787000    


%chk=000046354-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046354

0 1
P -4.330016 0.575900 0.948375
O 0.394973 -0.982263 -0.482336
O -4.354345 -0.759651 -0.189383
O -5.961846 0.517096 1.434437
O -4.179327 1.860932 -0.196276
O 6.319825 2.541447 -0.219281
O 5.096176 2.222321 -2.117528
O -0.642197 -2.341437 -2.073677
O -3.298498 0.575679 2.146620
N 5.382519 1.952952 -0.886261
C 2.797525 -0.744551 -0.264119
C 3.072491 -1.087212 1.098799
C 1.706148 -1.442936 -1.039440
C 3.560610 0.251943 -0.905667
C 4.113554 -0.402084 1.776875
C 4.589713 0.908595 -0.198638
C 4.880803 0.595087 1.144571
C 2.269683 -2.152759 1.815621
C -0.744330 -1.531298 -1.113828
C -3.226635 -1.301469 -0.845821
C -1.946812 -0.995592 -0.463895
C -3.681225 -2.221241 -1.940296
C -7.054357 0.492137 0.424773
C -3.508453 3.117732 0.232599
H 1.738552 -1.194572 -2.114130
H 1.749092 -2.543777 -0.943638
H 3.367598 0.533881 -1.944864
H 4.324790 -0.658500 2.820537
H 5.685099 1.124686 1.661672
H 1.193860 -1.903089 1.809294
H 2.597569 -2.266216 2.861733
H 2.372317 -3.138068 1.320707
H -1.759949 -0.328808 0.384418
H -4.333234 -3.008167 -1.519409
H -2.813543 -2.680557 -2.435615
H -4.278388 -1.657423 -2.679930
H -7.018349 -0.449018 -0.147754
H -6.977670 1.360773 -0.252152
H -7.973410 0.549494 1.025509
H -4.199940 3.735391 0.831298
H -3.254828 3.627099 -0.708238
H -2.596345 2.897444 0.813338


