%chk=000115790.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115790

0 1
 P   0.4145000      0.5247000       1.915600    
 O  -0.8786000       1.400900       1.491800    
 O    1.652700       1.229400       1.142800    
 O   0.1820000     -0.8680000       1.121000    
 O   0.6125000      0.3743000       3.397300    
 O    4.216800      0.3543000      -1.499700    
 O    1.797400      -2.780700      -1.717000    
 O    4.625100       1.278200      0.4584000    
 O  -0.3541000      -2.369100      -1.480200    
 N    3.988900       1.165500     -0.5953000    
 N   0.7546000      -2.715100      -1.056900    
 C   -3.231000       1.381100      0.8896000    
 C   -3.067400      0.5508000     -0.4011000    
 C   -4.656500       1.349500       1.485000    
 C   -2.161600      0.9543000       1.908500    
 C   -3.990400      0.9985000      -1.539300    
 C   -3.832200      0.1577000      -2.809100    
 C    2.856600       2.110200     -0.8016000    
 C   0.8340000      -3.109900      0.3766000    
 C   -5.165000     -3.2000002E-02   1.873800    
 C    1.594200       1.431900     -0.2589000    
 C    1.199100      -1.853600       1.174400    
 C   -4.764100      0.5804000      -3.934500    
 C    3.214200       3.399700     -6.5600000E-02
 C    2.750000       2.343000      -2.308400    
 C  -0.5271000      -3.691100      0.7534000    
 C    1.935200      -4.164700      0.4796000    
 H   -3.023500       2.426900      0.6217000    
 H   -2.030300      0.6292000     -0.7524000    
 H   -3.236200     -0.5119000     -0.1890000    
 H   -5.364800       1.806800      0.7852000    
 H   -4.674200       1.985900       2.379000    
 H   -2.162600     -0.1329000       2.044300    
 H   -2.359400       1.413500       2.882800    
 H   -3.793300       2.051500      -1.773800    
 H   -5.036100      0.9316000      -1.220700    
 H   -4.019600     -0.8966000      -2.572700    
 H   -2.796200      0.2248000      -3.161900    
 H   -6.160000      5.0299998E-02   2.323300    
 H   -5.249700     -0.6877000       1.002600    
 H   -4.507700     -0.5095000       2.606200    
 H   0.7238000       2.061900     -0.4759000    
 H    1.429800      0.4670000     -0.7517000    
 H    1.353100      -2.121000       2.226500    
 H    2.135500      -1.415800      0.8082000    
 H   -4.607700     -5.0299998E-02  -4.815100    
 H   -4.580900       1.620400      -4.222500    
 H   -5.811200      0.4875000      -3.629700    
 H    3.287800       3.271500       1.020700    
 H    2.442000       4.158900     -0.2383000    
 H    4.164600       3.819900     -0.4170000    
 H    2.457000       1.439400      -2.857000    
 H    1.985200       3.099300      -2.521900    
 H    3.692400       2.707000      -2.735700    
 H   -1.339700      -2.956700      0.7017000    
 H  -0.5066000      -4.061300       1.785300    
 H  -0.8012000      -4.537700      0.1118000    
 H    2.929600      -3.763000      0.2501000    
 H    1.986700      -4.560500       1.501000    
 H    1.752400      -5.016000     -0.1877000    


%chk=000115790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115790

0 1
P 0.208136 0.525146 1.695860
O -0.957926 1.609891 1.074488
O 1.689561 1.317178 1.319291
O 0.070351 -0.727693 0.501063
O 0.096609 0.083010 3.210038
O 4.022507 -0.176077 -0.063365
O 1.457144 -0.965918 -2.243138
O 5.391202 1.248400 1.052547
O -0.537418 -1.936531 -2.724112
N 4.349604 0.997899 0.352454
N 0.506145 -1.797084 -1.994993
C -3.378038 1.567326 0.593116
C -3.408635 0.129929 0.012522
C -4.754687 2.077569 1.115576
C -2.319313 1.704063 1.699853
C -4.330800 -0.043193 -1.215727
C -4.197435 -1.438310 -1.869489
C 3.441729 2.207298 -0.096172
C 0.675152 -2.719050 -0.725671
C -5.376648 1.255240 2.268965
C 1.984711 1.719932 -0.080067
C 1.103860 -1.789825 0.425477
C -5.140389 -1.628825 -3.076998
C 3.680977 3.386061 0.858033
C 3.862839 2.518507 -1.554060
C -0.655463 -3.429605 -0.445028
C 1.824577 -3.699199 -1.058291
H -3.067689 2.254589 -0.222748
H -2.376997 -0.147673 -0.279088
H -3.713455 -0.585671 0.805160
H -5.462332 2.098347 0.265161
H -4.640846 3.131602 1.442676
H -2.418270 0.926652 2.481192
H -2.360800 2.700878 2.174509
H -4.085994 0.734053 -1.970275
H -5.390026 0.120948 -0.929115
H -4.410584 -2.217871 -1.108133
H -3.147585 -1.591173 -2.190792
H -6.354226 1.679422 2.561845
H -5.546184 0.204295 1.972923
H -4.735466 1.252282 3.169848
H 1.319316 2.553528 -0.369788
H 1.840686 0.866816 -0.765995
H 1.127694 -2.369012 1.367501
H 2.092706 -1.340186 0.227708
H -5.023792 -2.632058 -3.526676
H -4.929141 -0.881206 -3.864853
H -6.199964 -1.512114 -2.778859
H 3.367810 3.130171 1.882516
H 3.080713 4.246178 0.511388
H 4.742657 3.676487 0.871467
H 3.721713 1.639854 -2.206584
H 3.247232 3.349017 -1.941712
H 4.920639 2.829845 -1.590558
H -1.448112 -2.703520 -0.205741
H -0.518582 -4.102529 0.420321
H -0.977892 -4.029294 -1.310673
H 2.742628 -3.154139 -1.334628
H 2.037869 -4.325338 -0.174097
H 1.536719 -4.366721 -1.888474


