%chk=000116440.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116440

0 1
 P   -2.976200     -0.4795000      0.4060000    
 O   -2.098900     -0.4808000     -0.9596000    
 O  -0.4586000      -2.604600     -0.6519000    
 O   -1.001700       1.987200      -1.005500    
 O   -4.501100     -0.5605000     -0.1359000    
 O   -2.830700       1.029800      0.9793000    
 O   -2.604200      -1.556300       1.385800    
 N  -0.7275000     -0.3004000     -0.7250000    
 C    1.915000      6.1400000E-02 -8.5900001E-02
 C    1.410800      -1.252700     -0.1628000    
 C    1.121200       1.195600     -0.3508000    
 C    3.273100      0.2493000      0.2678000    
 C  -8.5000005E-03  -1.470000     -0.5314000    
 C  -0.3031000       1.019600     -0.7229000    
 C    2.228200      -2.356300      0.1026000    
 C    1.655100       2.485700     -0.2690000    
 C    4.080400     -0.8684000      0.5328000    
 C    3.794000       1.550500      0.3473000    
 C    3.561200      -2.159900      0.4503000    
 C    2.990800       2.658700      8.0700003E-02
 C   -4.940200      0.4159000      -1.064600    
 C   -3.579000       1.435500       2.112800    
 H    1.845300      -3.371400      4.5299999E-02
 H    1.048200       3.363700     -0.4716000    
 H    5.126200     -0.7426000      0.8062000    
 H    4.835400       1.713500      0.6179000    
 H    4.199100      -3.014100      0.6579000    
 H    3.409300       3.659000      0.1462000    
 H   -4.372000      0.3342000      -1.994600    
 H   -4.833700       1.421100     -0.6500000    
 H   -5.996200      0.2369000      -1.282300    
 H   -3.365200       2.487300       2.316800    
 H   -3.288800      0.8355000       2.978900    
 H   -4.648400       1.317000       1.922000    


%chk=000116440-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116440

0 1
P -3.618924 -0.710172 0.033131
O -2.239046 -0.671678 -1.188754
O -0.956548 -2.171151 0.677307
O -1.120575 1.664808 -1.982540
O -4.697065 0.374961 -0.721280
O -2.948433 0.178591 1.355067
O -4.273135 -2.115437 0.314727
N -0.937429 -0.321361 -0.742570
C 1.752752 0.228711 -0.126894
C 1.129341 -0.934490 0.430617
C 1.019708 1.140299 -0.954170
C 3.142629 0.492101 0.160295
C -0.301038 -1.224090 0.161245
C -0.411598 0.895183 -1.281589
C 1.861802 -1.813551 1.243875
C 1.646935 2.281921 -1.477690
C 3.864333 -0.426834 0.990497
C 3.753654 1.665288 -0.391554
C 3.235136 -1.559435 1.520885
C 3.017527 2.544298 -1.194575
C -4.292048 1.767360 -1.065838
C -2.877585 -0.497155 2.681146
H 1.354905 -2.694042 1.652052
H 1.059211 2.957815 -2.107341
H 4.920802 -0.229267 1.206038
H 4.809106 1.866264 -0.174224
H 3.796385 -2.255796 2.151574
H 3.492821 3.437863 -1.610968
H -3.373615 1.767673 -1.676202
H -4.146411 2.352565 -0.141323
H -5.147843 2.154184 -1.638113
H -2.342700 0.221322 3.319669
H -2.320415 -1.445307 2.600319
H -3.893339 -0.681544 3.069980


