%chk=000096662.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096662

0 1
 P    2.852400     -0.7239000      0.2988000    
 P   -2.854100      0.7184000      0.3087000    
 O    1.888400      -1.545100     -0.7209000    
 O    1.773800      0.2173000       1.069700    
 O   -1.889700       1.555200     -0.6981000    
 O   -1.775400     -0.2338000       1.065900    
 O    3.558300      -1.649500       1.255100    
 O   -3.560800       1.629300       1.278300    
 N    3.820900      0.2628000     -0.6101000    
 N   -3.819200     -0.2524000     -0.6131000    
 C  -6.0000003E-04  4.3000001E-03 -0.6066000    
 C   0.9492000     -0.8146000      -1.503100    
 C   0.8324000      0.9504000      0.2912000    
 C  -0.9502000      0.8366000      -1.490900    
 C  -0.8337000     -0.9550000      0.2768000    
 C    4.808100     -0.3247000      -1.512500    
 C    4.263200       1.544100     -7.0500001E-02
 C   -4.806200      0.3481000      -1.507100    
 C   -4.261300      -1.541800     -9.2900001E-02
 C    6.027400     -0.9346000     -0.8243000    
 C    5.036700       1.455700       1.244000    
 C   -6.026200      0.9471000     -0.8103000    
 C   -5.035400      -1.473600       1.222400    
 C    6.835000      3.9000001E-02  3.5599999E-02
 C    6.134900      0.3966000       1.342900    
 C   -6.833800     -3.9600000E-02  3.4400001E-02
 C   -6.134000     -0.4165000       1.336500    
 H   0.3893000      -1.536100      -2.107900    
 H    1.498300     -0.1670000      -2.195900    
 H    1.356600       1.690700     -0.3195000    
 H   0.1972000       1.506500      0.9883000    
 H  -0.3902000       1.567200      -2.084700    
 H   -1.499000      0.1995000      -2.193700    
 H   -1.357300      -1.686400     -0.3451000    
 H  -0.1986000      -1.521200      0.9658000    
 H    5.134100      0.4165000      -2.253400    
 H    4.316200      -1.110600      -2.098800    
 H    3.399500       2.194900      9.4999999E-02
 H    4.865500       2.088000     -0.8099000    
 H   -5.131600     -0.3820000      -2.259000    
 H   -4.314700       1.142900      -2.081500    
 H   -3.397800      -2.195300      6.3000001E-02
 H   -4.863200      -2.074600     -0.8407000    
 H    6.690200      -1.321300      -1.609200    
 H    5.733500      -1.806100     -0.2283000    
 H    4.335000       1.298900       2.073300    
 H    5.488800       2.439800       1.425500    
 H   -6.688800       1.345100      -1.589700    
 H   -5.733200       1.809900     -0.2013000    
 H   -4.334300      -1.328900       2.054300    
 H   -5.487300      -2.460300       1.388900    
 H    7.095100      0.9404000     -0.5309000    
 H    7.782800     -0.4535000      0.2877000    
 H    5.739600     -0.5113000       1.810200    
 H    6.888800      0.7713000       2.047700    
 H   -7.093300     -0.9325000     -0.5456000    
 H   -7.781900      0.4487000      0.2934000    
 H   -5.739700      0.4844000       1.817900    
 H   -6.888100     -0.8021000       2.035300    


%chk=000096662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096662

0 1
P 2.930789 -0.734764 0.573828
P -2.928900 0.720507 0.590785
O 1.950932 -1.591538 -0.604605
O 1.780947 0.323081 1.347754
O -1.950678 1.597438 -0.573869
O -1.778081 -0.350149 1.345387
O 3.606416 -1.744940 1.587863
O -3.603248 1.712692 1.623256
N 3.860736 0.356409 -0.417271
N -3.859790 -0.353385 -0.418226
C -0.000039 0.001221 -0.411628
C 0.974409 -0.763283 -1.349644
C 0.789978 1.003725 0.470199
C -0.975972 0.781405 -1.334869
C -0.787687 -1.015742 0.455477
C 4.651302 -0.209234 -1.549898
C 4.384496 1.612535 0.193220
C -4.646316 0.230332 -1.544450
C -4.388202 -1.616434 0.173710
C 6.015421 -0.836807 -1.178607
C 5.449853 1.451822 1.311402
C -6.009271 0.857072 -1.167719
C -5.456333 -1.468235 1.291180
C 6.957750 0.073036 -0.349669
C 6.470516 0.299695 1.106832
C -6.956248 -0.060807 -0.353108
C -6.472352 -0.309687 1.100817
H 0.437490 -1.490105 -1.984443
H 1.515403 -0.039120 -1.993776
H 1.309114 1.740460 -0.176303
H 0.128330 1.527181 1.176279
H -0.440021 1.518519 -1.958529
H -1.518655 0.068516 -1.989967
H -1.307133 -1.743239 -0.201130
H -0.124161 -1.549211 1.152233
H 4.804237 0.628081 -2.260031
H 4.025299 -0.965145 -2.060905
H 3.532909 2.197187 0.588891
H 4.806483 2.185166 -0.654279
H -4.800328 -0.596822 -2.266167
H -4.016889 0.991284 -2.043564
H -3.538898 -2.208186 0.563739
H -4.809182 -2.176753 -0.682465
H 6.512219 -1.123984 -2.128537
H 5.841095 -1.773590 -0.613476
H 4.939691 1.297700 2.282012
H 5.982724 2.421619 1.388255
H -6.503064 1.158385 -2.114844
H -5.833423 1.785849 -0.589940
H -4.948454 -1.329845 2.265335
H -5.992824 -2.437132 1.352523
H 7.110651 1.043980 -0.866980
H 7.951829 -0.414327 -0.316586
H 6.023814 -0.643854 1.475120
H 7.342025 0.504833 1.758449
H -7.111825 -1.023816 -0.884339
H -7.948633 0.429630 -0.314900
H -6.022896 0.626870 1.483287
H -7.345753 -0.520798 1.747990


