%chk=000001172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001172

0 1
 P    4.552100       1.289000     -0.2340000    
 O   0.4173000     -1.5699999E-02 -0.3772000    
 O    1.176800      -2.887200       1.622500    
 O   -1.269200      -3.148100     -0.2760000    
 O    3.055100      0.8259000      0.1704000    
 O   -3.294400     -0.9877000      -1.842100    
 O    4.761200      0.6654000      -1.711400    
 O    5.483200      0.3531000      0.6999000    
 O    4.813900       2.762100     -0.1163000    
 O   -5.071500       2.390900      0.7409000    
 N   -1.916700      2.7700000E-02 -0.2516000    
 N   -4.177300      0.6955000     -0.5554000    
 C   0.8201000      -2.184200      0.4482000    
 C  -0.6770000      -2.010100      0.3238000    
 C    1.283200     -0.7398000      0.5113000    
 C  -0.7793000     -0.7865000     -0.5733000    
 C    2.728100     -0.5517000      8.5900001E-02
 C   -3.133800     -0.1528000     -0.9494000    
 C   -1.819900      0.9917000      0.7448000    
 C   -2.823200       1.792900       1.109300    
 C   -4.128600       1.669600      0.4298000    
 H    1.237100      -2.713100     -0.4174000    
 H   -1.143000      -1.865700       1.305400    
 H    1.147700     -0.3206000       1.516700    
 H  -0.8208000      -1.067300      -1.632400    
 H    2.861400     -0.8774000     -0.9508000    
 H    3.394300      -1.130000      0.7334000    
 H   0.7559000      -3.762600       1.576400    
 H  -0.8531000      -3.290400      -1.143200    
 H  -0.8730000       1.079200       1.264600    
 H   -5.061600      0.5835000      -1.043500    
 H   -2.713200       2.528700       1.896300    
 H    5.585400      0.8720000      -2.201300    
 H    6.452100      0.5060000      0.7088000    


%chk=000001172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001172

0 1
P 4.625260 1.401169 0.219697
O 0.536702 -0.171772 -0.616018
O 1.189725 -3.068393 1.513213
O -1.180825 -3.327913 -0.639159
O 3.113042 0.702160 0.583279
O -3.383798 -1.652426 -0.740215
O 4.834701 1.265728 -1.497898
O 5.651880 0.116205 0.701631
O 4.821891 2.850774 0.813726
O -5.026056 2.462847 0.767849
N -1.845932 0.063676 -0.285722
N -4.156275 0.425837 0.015816
C 0.848928 -2.348944 0.297742
C -0.664932 -2.175752 0.061666
C 1.333697 -0.893363 0.429838
C -0.743067 -0.849320 -0.761057
C 2.807065 -0.691661 0.154981
C -3.151338 -0.460056 -0.359710
C -1.599583 1.374934 0.119675
C -2.611973 2.226047 0.490832
C -4.005876 1.788455 0.459801
H 1.282065 -2.832707 -0.603740
H -1.164059 -2.029205 1.044035
H 1.079947 -0.503909 1.435152
H -0.915947 -1.065402 -1.831205
H 3.034439 -0.815052 -0.919872
H 3.404133 -1.395315 0.760922
H 0.862152 -3.999516 1.432466
H -2.146660 -3.129402 -0.813011
H -0.544929 1.659473 0.110384
H -5.114831 0.063413 -0.027198
H -2.401359 3.246666 0.810632
H 4.589223 2.083616 -2.001595
H 6.611889 0.221409 0.486163


