%chk=000122762.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122762

0 1
 P    3.045600      -2.353600     -5.2600000E-02
 P    2.660000     -0.1189000      -1.955400    
 O  -0.2392000      -1.208000      0.9103000    
 O    2.041200      -2.869300       1.105400    
 O    1.549000       1.065100      -1.757200    
 O    2.363500     -0.9975000     -0.6111000    
 O   -3.031600       1.706900      0.1927000    
 O    4.341200      -1.811500      0.7506000    
 O    3.356900      -3.371300      -1.111500    
 O    2.295000     -0.9533000      -3.164200    
 O    4.036100      0.4986000      -1.833000    
 N   0.7267000       3.943100      0.4082000    
 N   -2.394700     -0.5078000      0.3174000    
 N   -4.286500      0.2309000     -0.9899000    
 N   -5.569300      -1.286800      -2.197700    
 C   0.1665000      -1.817200       2.147400    
 C  -0.3459000     -0.9066000       3.249300    
 C   -1.647300     -0.4247000       2.657600    
 C   -1.285300     -0.2652000       1.191700    
 C    1.671800      -1.997400       2.162300    
 C   0.5507000       2.972100     -0.7012000    
 C  -0.3951000       4.990400      0.3984000    
 C    2.067700       4.678300      0.2805000    
 C   0.7010000       3.228700       1.766400    
 C    1.691500       1.974000     -0.6781000    
 C   -2.655500      -1.809700     -8.5699998E-02
 C   -3.232800      0.5394000     -0.1465000    
 C   -3.664200      -2.127100     -0.8950000    
 C   -4.516700      -1.001700      -1.359200    
 H  -0.3283000      -2.795300       2.191400    
 H  -0.4680000      -1.422400       4.205600    
 H   0.3267000     -5.3399999E-02   3.400200    
 H   -2.011000      0.5048000       3.105300    
 H   -2.422800      -1.187300       2.802300    
 H  -0.8798000      0.7305000       1.002900    
 H    2.000300      -2.446700       3.104500    
 H    2.176400      -1.031800       2.048100    
 H  -0.4185000       2.473200     -0.5910000    
 H   0.5303000       3.520600      -1.651000    
 H  -0.3527000       5.524300     -0.5554000    
 H   -1.349500       4.466400      0.5041000    
 H  -0.2409000       5.680200       1.233300    
 H    2.166200       5.044900     -0.7453000    
 H    2.060700       5.520200      0.9806000    
 H    2.888100       4.008800      0.5502000    
 H  -0.2258000       2.656700       1.838900    
 H    1.582400       2.594900       1.880400    
 H   0.7199000       3.996000       2.547600    
 H    2.664100       2.453600     -0.8023000    
 H    1.703000       1.377700      0.2363000    
 H   -2.018800      -2.599200      0.2956000    
 H   -3.877500      -3.141300      -1.205000    
 H    5.143400      -1.563400      0.2436000    
 H   -6.177000     -0.5500000      -2.539300    
 H   -5.773500      -2.232900      -2.502500    


%chk=000122762-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122762

0 1
P 3.630149 -1.306209 0.296940
P 3.659256 0.822699 -2.013755
O -0.427728 -0.135508 2.167639
O 2.000997 -0.936853 0.865259
O 2.024961 1.268270 -2.487645
O 3.369612 -0.833425 -1.344301
O -2.304524 2.047773 1.082659
O 4.604304 -0.107676 0.973511
O 4.022047 -2.812689 0.579035
O 4.577541 0.810653 -3.297700
O 3.978825 1.691437 -0.650113
N 0.756761 3.333957 -0.268622
N -2.726866 -0.238814 1.423099
N -3.544572 0.925004 -0.554008
N -4.751141 -0.211570 -2.178826
C -0.013612 -1.563917 2.006557
C -0.757065 -2.319417 3.146274
C -1.906019 -1.352209 3.589233
C -1.820431 -0.155469 2.613421
C 1.504367 -1.623882 2.065791
C 0.140674 2.345884 -1.294463
C -0.328867 4.361963 0.046308
C 1.987973 4.045450 -0.833113
C 1.145514 2.610725 1.022070
C 0.895333 1.046408 -1.574299
C -3.269840 -1.418481 0.957341
C -2.855244 0.990437 0.640059
C -3.972774 -1.473558 -0.230030
C -4.085463 -0.242052 -0.980271
H -0.342467 -1.912135 1.006322
H -1.135999 -3.292961 2.790124
H -0.076081 -2.518234 3.991535
H -1.706314 -0.965319 4.601332
H -2.900662 -1.827116 3.621313
H -2.005392 0.827656 3.067335
H 1.848369 -2.677603 2.069012
H 1.869357 -1.111824 2.977605
H -0.858637 2.102592 -0.893660
H 0.023195 2.915621 -2.232981
H -0.617716 4.867421 -0.889403
H -1.194242 3.836481 0.481868
H 0.081362 5.098932 0.754789
H 1.746165 4.438541 -1.832570
H 2.241368 4.873275 -0.149969
H 2.828761 3.329676 -0.880979
H 0.302111 1.992822 1.363488
H 2.028874 1.986168 0.825783
H 1.395198 3.378081 1.772868
H 1.187077 0.508652 -0.653882
H 0.183796 0.395804 -2.118941
H -3.126302 -2.310786 1.570560
H -4.403559 -2.413585 -0.578899
H 4.490299 0.804928 0.407595
H -4.806120 0.677627 -2.674076
H -5.168909 -1.044646 -2.585220


