%chk=000000689.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000689

0 1
 P   -2.741000       1.955300      -1.148000    
 P   -4.078900     -0.6591000     -0.9473000    
 P   -2.856900      -2.608600      0.8992000    
 O   0.9086000      0.7959000      0.1878000    
 O    1.144200       2.907000       3.074600    
 O   -1.301900       2.402500     -0.5586000    
 O    3.548700      -2.195100       1.159600    
 O   -2.860000      0.3865000     -0.7814000    
 O   -3.814500       2.649400     -0.1565000    
 O   -2.950400       2.264700      -2.601900    
 O    6.224800     -0.8306000      -2.336300    
 O   -3.422000      -2.070700     -0.5160000    
 O   -4.254000     -0.7986000      -2.548200    
 O   -5.333200     -0.3016000     -0.2056000    
 O   -2.217300      -4.042900      0.5165000    
 O   -1.562700      -1.679100       1.169300    
 O   -3.868700      -2.636800       2.006700    
 N    3.040200     -0.1749000      0.1018000    
 N    4.880700      -1.513500     -0.5810000    
 C   0.9569000       1.700200       2.366200    
 C   0.5089000       1.955500      0.9367000    
 C    2.253100      0.9583000       2.141200    
 C    1.909800      9.3000002E-02  0.9419000    
 C  -0.9888000       2.162400      0.8028000    
 C    3.798400      -1.353000      0.2943000    
 C    3.387700      0.7238000     -0.8994000    
 C    4.422100      0.5570000      -1.726200    
 C    5.266200     -0.6472000      -1.592300    
 H   0.2494000       1.062800       2.910300    
 H    1.031900       2.817900      0.5034000    
 H    2.570100      0.3726000       3.010000    
 H    3.065000       1.665100       1.926300    
 H    1.458200     -0.8493000       1.274500    
 H   -1.320600       3.024800       1.388800    
 H   -1.525800       1.275500       1.154100    
 H   0.2831000       3.355200       3.126400    
 H    2.785500       1.620500     -0.9928000    
 H    5.440200      -2.353200     -0.4611000    
 H    4.668300       1.283300      -2.491000    
 H   -4.030300       3.598200     -0.2806000    
 H   -4.722200     -8.9199997E-02  -3.037900    
 H   -1.882900      -4.620700       1.235100    
 H   -1.087000      -1.761100       2.023200    


%chk=000000689-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000000689

0 1
P -2.805952 1.998916 -0.829202
P -3.249363 -0.924709 -0.935903
P -1.904399 -2.956583 1.079864
O 0.911094 1.682555 -0.166142
O 2.722062 2.687611 2.060073
O -1.624974 3.044435 -0.219582
O 1.418283 -2.298751 -0.433258
O -2.114550 0.373393 -0.558240
O -4.019604 2.069007 0.367870
O -3.205036 2.173654 -2.351196
O 5.689660 -1.624448 -2.118544
O -2.438521 -2.324644 -0.513840
O -3.227392 -1.045539 -2.627248
O -4.644397 -0.590741 -0.231586
O -0.396784 -2.309132 1.224450
O -2.743494 -1.926574 2.170460
O -2.194991 -4.503465 1.165930
N 2.405132 -0.169756 -0.091693
N 3.531310 -1.878486 -1.255133
C 1.309498 2.273185 2.122391
C 0.544786 2.697361 0.840360
C 1.293601 0.732265 2.038964
C 1.173538 0.405237 0.522244
C -0.971927 2.748130 1.082087
C 2.392176 -1.478905 -0.582222
C 3.541970 0.641498 -0.230038
C 4.670934 0.218180 -0.880393
C 4.733877 -1.113244 -1.479292
H 0.836932 2.653007 3.049024
H 0.884834 3.663694 0.429544
H 0.426378 0.310365 2.572365
H 2.208024 0.316968 2.489409
H 0.349342 -0.290721 0.314891
H -1.230567 3.585675 1.753832
H -1.357305 1.802896 1.506117
H 2.794310 3.668159 2.179377
H 3.452649 1.625269 0.239333
H 3.522067 -2.836994 -1.621763
H 5.544843 0.863385 -0.972162
H -4.598216 1.235821 0.352618
H -3.369939 -0.165350 -3.081784
H 0.365180 -2.376716 0.472945
H -3.642171 -2.253706 2.433675


