%chk=000168161.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168161

0 1
 P    4.798300       1.616900      2.5500000E-02
 O    1.213000     -0.4843000       1.191300    
 O  -0.6152000      -2.759800     -0.9065000    
 O    1.321300      -3.511900      0.8455000    
 O    3.765800      0.5633000      0.6932000    
 O    4.002600       2.164400      -1.271500    
 O    5.932700      0.6568000     -0.6120000    
 O   -4.203600       3.090700     -0.6769000    
 O    5.313500       2.675500      0.9561000    
 N  -0.8415000      0.2053000      0.2250000    
 N   -3.106300     -0.6210000      0.5485000    
 N   -1.378500       2.275000     -0.4602000    
 N   -4.825700      0.9781000      4.5499999E-02
 N   -5.330800      -1.201200      0.7876000    
 C   0.3878000      -1.818600     -0.5829000    
 C  -1.5000000E-02 -0.9420000      0.5931000    
 C    1.657700      -2.460400     -5.9500001E-02
 C    2.297800      -1.320700      0.7268000    
 C    3.233000     -0.4680000     -0.1192000    
 C   -2.192100      0.2960000      0.2213000    
 C  -0.3902000       1.436400     -0.1975000    
 C   -2.509700       1.555600     -0.1958000    
 C  -0.1828000      -3.670800      -1.912500    
 C   -3.895700       1.964800     -0.3054000    
 C   -4.436500     -0.2203000      0.4408000    
 H   0.6080000      -1.197700      -1.461700    
 H  -0.5688000      -1.502600       1.355700    
 H    2.300900      -2.877700     -0.8399000    
 H    2.824000      -1.675500       1.620200    
 H    2.692300     -9.8999999E-03 -0.9530000    
 H    4.048200      -1.081600     -0.5148000    
 H    2.154600      -3.869200       1.197300    
 H   0.6623000       1.663800     -0.2996000    
 H   0.5457000      -4.384700      -1.519200    
 H   0.2296000      -3.137600      -2.775000    
 H   -1.056100      -4.238300      -2.246900    
 H   -2.874400      -1.560000      0.8552000    
 H   -5.019900      -2.118000       1.089600    
 H   -6.330800      -1.036000      0.7518000    
 H    4.406000       2.878700      -1.809200    
 H    6.734000       1.064600      -1.004000    


%chk=000168161-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168161

0 1
P 4.609430 1.752312 -0.154271
O 1.560071 -0.675756 1.418795
O -0.864716 -2.849827 -0.142123
O 1.469661 -3.713244 1.086411
O 4.281675 0.110556 0.191923
O 3.020246 2.372490 -0.035770
O 4.804245 1.859418 -1.874788
O -3.717675 3.315441 -0.889529
O 5.788866 2.349214 0.706090
N -0.469673 0.269224 0.573365
N -2.732349 -0.638028 0.032152
N -0.877220 2.479525 0.152267
N -4.335517 1.059170 -0.624572
N -4.970520 -1.195965 -0.494153
C 0.317057 -2.003733 -0.184391
C 0.199803 -0.977241 0.980798
C 1.689426 -2.679873 0.077584
C 2.519339 -1.484956 0.618163
C 3.190823 -0.639145 -0.475397
C -1.796310 0.375641 0.175448
C 0.046929 1.593654 0.547265
C -2.051041 1.731396 -0.086103
C -0.827411 -3.979689 -1.086457
C -3.386663 2.144227 -0.562837
C -4.014483 -0.197720 -0.364085
H 0.367506 -1.471340 -1.159826
H -0.354848 -1.443038 1.817727
H 2.136822 -3.113052 -0.840295
H 3.305653 -1.813724 1.322156
H 2.472841 0.053389 -0.950468
H 3.663434 -1.281050 -1.242788
H 2.337187 -4.006008 1.463991
H 1.079957 1.801831 0.811145
H -0.036955 -4.690387 -0.788246
H -0.665936 -3.626297 -2.124931
H -1.810619 -4.468131 -1.011194
H -2.425858 -1.623521 0.010010
H -4.868897 -2.106032 -0.051254
H -5.893604 -0.882871 -0.786822
H 2.849542 3.262680 -0.434299
H 5.745283 1.948559 -2.173893


