%chk=000105706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105706

0 1
 P   8.0700003E-02  0.6207000     -0.5061000    
 O    1.416500       1.430800     -4.6999998E-02
 O   -1.087700       1.731400     -0.2777000    
 O   0.1729000      0.1913000      -1.949000    
 N  -0.1841000     -0.5941000      0.6053000    
 C   -1.126900      -1.649200      0.2282000    
 C    1.000400      -1.205800       1.212200    
 C   -2.531500      -1.071400      6.2799998E-02
 C    1.935700      -1.740200      0.1288000    
 C   -3.528800      -2.153700     -0.3522000    
 C    3.190300      -2.364600      0.7408000    
 C   -4.936100      -1.593600     -0.4847000    
 C    4.109800      -2.930700     -0.3295000    
 C    1.886500       2.528400     -0.8123000    
 C   -1.189700       2.365300      0.9862000    
 C    3.132700       3.087300     -0.1594000    
 C   -2.340600       3.348200      0.9535000    
 H  -0.8148000      -2.136100     -0.7028000    
 H   -1.179900      -2.425100       1.002500    
 H    1.523800     -0.4416000       1.799500    
 H   0.7333000      -1.991300       1.929700    
 H   -2.543000     -0.2937000     -0.7083000    
 H   -2.857800     -0.6076000       1.002000    
 H    2.256100     -0.9488000     -0.5562000    
 H    1.427500      -2.500800     -0.4755000    
 H   -3.224300      -2.594400      -1.308700    
 H   -3.533700      -2.960400      0.3901000    
 H    3.734700      -1.611700       1.322600    
 H    2.907900      -3.167800       1.431500    
 H   -4.974700     -0.8047000      -1.242700    
 H   -5.632200      -2.384300     -0.7816000    
 H   -5.282800      -1.174800      0.4655000    
 H    4.437100      -2.147100      -1.020300    
 H    5.000000      -3.371400      0.1302000    
 H    3.605100      -3.710800     -0.9084000    
 H    1.109300       3.296300     -0.8680000    
 H    2.114800       2.185800      -1.826200    
 H  -0.2610000       2.894200       1.217500    
 H   -1.367700       1.613500       1.761000    
 H    3.525700       3.934300     -0.7283000    
 H    3.908600       2.317800     -8.8299997E-02
 H    2.916900       3.416900      0.8624000    
 H   -2.450200       3.854300       1.916600    
 H   -3.278300       2.835200      0.7149000    
 H   -2.182200       4.101000      0.1743000    


%chk=000105706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105706

0 1
P -0.119515 1.222939 -1.112656
O 1.551123 1.564730 -0.754125
O -0.958536 2.420181 -0.140814
O -0.608272 1.354046 -2.617225
N -0.254002 -0.341098 -0.407306
C -1.234232 -1.288462 -0.994575
C 0.626583 -0.821862 0.684535
C -2.562123 -1.369297 -0.207327
C 1.817751 -1.677107 0.194675
C -3.528143 -2.420239 -0.800583
C 2.661848 -2.219536 1.370536
C -4.867396 -2.498209 -0.036336
C 3.858945 -3.073481 0.899164
C 2.092417 2.875452 -1.217902
C -0.944303 2.304811 1.339325
C 3.562717 2.902577 -0.810464
C -1.831579 3.429912 1.867393
H -1.435413 -0.982590 -2.038641
H -0.761112 -2.290031 -1.036859
H 1.020818 0.046667 1.242263
H 0.003887 -1.408671 1.391947
H -3.046797 -0.372698 -0.214420
H -2.354294 -1.620057 0.853389
H 2.446254 -1.052955 -0.467895
H 1.445579 -2.525664 -0.413903
H -3.723612 -2.176613 -1.864554
H -3.039037 -3.416125 -0.792804
H 3.032677 -1.367817 1.977274
H 2.017600 -2.824248 2.042214
H -5.393001 -1.525311 -0.060569
H -5.540305 -3.256721 -0.476606
H -4.704696 -2.765569 1.025030
H 4.530831 -2.484760 0.247138
H 4.454450 -3.443612 1.753953
H 3.516111 -3.951507 0.320167
H 1.517898 3.693913 -0.742333
H 1.968954 2.943619 -2.315138
H 0.096447 2.403032 1.710722
H -1.336126 1.310492 1.634231
H 4.025606 3.853598 -1.133268
H 4.111300 2.069517 -1.281913
H 3.668344 2.816220 0.284790
H -1.870416 3.398737 2.972441
H -2.857530 3.327646 1.475233
H -1.439401 4.413148 1.556695


