%chk=000003029.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003029

-1 1
 P   -3.281700       3.531200     -0.9511000    
 O   -2.297200       1.088800       1.730100    
 O   -2.720100       2.002200      -1.042700    
 O   -3.296000      -1.401200     -9.0999998E-02
 O   -3.264500       3.689700      0.6754000    
 O   -4.711200       3.570100      -1.447200    
 O   -2.238000       4.458900      -1.533100    
 O   -1.654600      -2.676900      -1.091600    
 O    5.932400      -1.375700     -3.5700001E-02
 N  -0.2727000      0.3321000      0.7405000    
 N    1.533900       1.557500      0.2886000    
 N   0.7395000      -1.872400      0.8656000    
 N    3.144500      -1.767500      0.4646000    
 N    4.270700      0.2888000      1.2800000E-02
 C   -3.410000      0.9776000     -0.3352000    
 C   -2.499400     -0.2324000     -0.2624000    
 C   -3.586600       1.329200       1.138000    
 C   -1.675900      8.6000003E-03   1.007400    
 C   -4.027400       2.755500       1.429400    
 C   0.7741000     -0.5434000      0.6863000    
 C   0.2336000       1.580800      0.4946000    
 C    1.884900      0.2360000      0.4055000    
 C   -2.748400      -2.566800     -0.5550000    
 C   -3.712800      -3.702600     -0.2996000    
 C    3.104800     -0.4238000      0.2956000    
 C   -3.176500      -5.035200     -0.8168000    
 C    1.976600      -2.399000      0.7351000    
 C   -4.139500      -6.174400     -0.5257000    
 C    5.577100     -0.2059000     -0.1330000    
 C    6.565000      0.9205000     -0.4111000    
 C    8.008000      0.4506000     -0.5807000    
 C    8.967400       1.599400     -0.8576000    
 H   -4.366200      0.7807000     -0.8299000    
 H   -1.880000     -0.3110000      -1.164600    
 H   -4.283900      0.6313000       1.618400    
 H   -1.675200     -0.8639000       1.671300    
 H   -3.884100       2.995200       2.487500    
 H   -5.085200       2.893200       1.183700    
 H  -0.3817000       2.469800      0.4779000    
 H   -3.883800      -3.766000      0.7809000    
 H   -4.659600      -3.467100     -0.7982000    
 H   -3.002300      -4.973600      -1.897700    
 H   -2.207500      -5.254500     -0.3525000    
 H    2.045500      -3.473900      0.8637000    
 H    4.145400       1.293000     -9.7300000E-02
 H   -5.108100      -6.001400      -1.005500    
 H   -3.736000      -7.118300     -0.9055000    
 H   -4.303600      -6.284000      0.5510000    
 H    6.505300       1.634300      0.4196000    
 H    6.237600       1.439500      -1.320200    
 H    8.066200     -0.2720000      -1.403500    
 H    8.332600     -7.7799998E-02  0.3238000    
 H    8.692500       2.124800      -1.777600    
 H    9.988200       1.222000     -0.9724000    
 H    8.961100       2.320700     -3.4299999E-02


%chk=000003029-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003029

-1 1
P -3.060258 3.503102 -0.926015
O -2.021887 0.633796 1.749888
O -2.432931 1.782602 -1.080661
O -3.359690 -1.607599 -0.062897
O -2.715159 3.564079 0.844200
O -4.655586 3.424672 -1.138022
O -2.008391 4.429234 -1.679856
O -2.336554 -2.953068 -1.681771
O 6.488266 -0.883858 0.768595
N -0.071283 0.021730 0.480821
N 1.732692 1.237867 -0.255310
N 1.158645 -1.890438 1.516828
N 3.604764 -1.638930 1.289689
N 4.542037 0.310958 0.156172
C -3.237839 0.823160 -0.333658
C -2.425647 -0.481263 -0.361397
C -3.317969 1.134468 1.186897
C -1.447026 -0.360212 0.843323
C -3.534397 2.604784 1.588675
C 1.065842 -0.704006 0.854467
C 0.386683 1.183679 -0.174461
C 2.165320 0.064038 0.384803
C -3.208353 -2.791358 -0.800666
C -4.251703 -3.807101 -0.360170
C 3.463716 -0.454478 0.628240
C -4.186151 -5.124286 -1.157662
C 2.457801 -2.279740 1.692694
C -5.245559 -6.139566 -0.680656
C 5.933232 0.104785 0.225752
C 6.714716 1.249012 -0.452170
C 8.240287 1.047406 -0.388340
C 9.007995 2.197546 -1.073139
H -4.244953 0.715682 -0.777288
H -1.921701 -0.658289 -1.324151
H -4.131243 0.522301 1.632902
H -1.349310 -1.331374 1.363582
H -3.257541 2.733059 2.649811
H -4.611331 2.834962 1.449358
H -0.320015 1.914176 -0.567976
H -4.108562 -3.993476 0.722638
H -5.249308 -3.335040 -0.452115
H -4.323890 -4.905272 -2.232986
H -3.172471 -5.556036 -1.063419
H 2.610766 -3.225934 2.220224
H 4.223905 1.167966 -0.315092
H -6.269146 -5.734591 -0.795529
H -5.187093 -7.078144 -1.261710
H -5.103428 -6.394204 0.386989
H 6.437776 2.209394 0.030627
H 6.386099 1.330361 -1.509338
H 8.495191 0.080134 -0.859415
H 8.547273 0.956269 0.669973
H 8.734743 2.282052 -2.142415
H 10.100375 2.036205 -1.016458
H 8.785450 3.170084 -0.593804


