%chk=000044389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044389

0 1
 P  -8.8000000E-03   1.099000       1.128400    
 O  -0.9811000      0.9427000     -0.1522000    
 O    1.375800       1.634400      0.4916000    
 O  -0.5769000       2.419700       1.874600    
 O   0.1171000     -0.1098000       2.011200    
 N   -2.793100       3.039600      4.9000001E-03
 N   0.9540000       1.755900      -2.249400    
 C   -2.753600     -0.6855000     -0.1169000    
 C    3.222800      0.1163000      0.2117000    
 C   -2.316000      0.6488000     -9.5100001E-02
 C    2.194400      0.9051000     -0.3282000    
 C   -4.140800     -0.9600000     -5.6899998E-02
 C    4.054100     -0.6270000     -0.6596000    
 C   -3.232800       1.697400     -1.5300000E-02
 C    1.987600      0.9610000      -1.706400    
 C   -5.049400      0.1080000      2.3100000E-02
 C    3.832100     -0.5592000      -2.044700    
 C   -1.845200      -1.753500     -0.1968000    
 C    3.444800      4.8500001E-02   1.596800    
 C   -4.596900       1.427500      4.3600000E-02
 C    2.805200      0.2299000      -2.563300    
 C   -4.578400      -2.294300     -7.8800000E-02
 C    5.083000      -1.416100     -0.1203000    
 C   -2.297700      -3.073000     -0.2174000    
 C    4.471800     -0.7407000       2.115400    
 C   -3.661700      -3.342900     -0.1584000    
 C    5.289300      -1.471700       1.258500    
 H   -6.120100     -7.9700001E-02  7.0100002E-02
 H    4.458900      -1.122300      -2.733100    
 H  -0.7728000      -1.581700     -0.2548000    
 H    2.833900      0.6133000       2.296800    
 H   -5.321400       2.235500      0.1056000    
 H    2.655000      0.2646000      -3.639400    
 H   -5.640000      -2.528700     -3.3900000E-02
 H    5.734300      -1.995700     -0.7712000    
 H   -1.584700      -3.889900     -0.2819000    
 H    4.634600     -0.7826000       3.188400    
 H   -4.013300      -4.370400     -0.1752000    
 H    6.089000      -2.085400       1.662800    
 H   -3.464700       3.793100      6.5200001E-02
 H   -1.803900       3.245200     -4.0600002E-02
 H   0.3519000       2.286900      -1.634200    
 H   0.8079000       1.785000      -3.249500    
 H  -0.1887000       2.679400       2.737100    


%chk=000044389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044389

0 1
P 0.040642 1.254693 1.202169
O -1.174628 1.263913 -0.077611
O 1.448521 1.598870 0.212451
O -0.269187 2.857820 1.796721
O 0.083643 0.108870 2.298636
N -3.088933 3.088338 0.908705
N 0.712820 0.697652 -2.351583
C -2.902597 -0.478917 -0.292547
C 3.408737 0.099165 0.210901
C -2.532291 0.849167 0.090294
C 2.231414 0.593293 -0.434931
C -4.305432 -0.841030 -0.241417
C 4.260432 -0.817627 -0.521539
C -3.470850 1.812554 0.527487
C 1.864354 0.218797 -1.748556
C -5.257065 0.145022 0.186744
C 3.889603 -1.184957 -1.858784
C -1.951860 -1.458655 -0.730922
C 3.782831 0.471325 1.543371
C -4.859576 1.423580 0.558308
C 2.735751 -0.688872 -2.453238
C -4.701186 -2.162294 -0.621631
C 5.443104 -1.324839 0.103792
C -2.372126 -2.742767 -1.090627
C 4.943460 -0.044866 2.126818
C -3.754625 -3.103312 -1.037959
C 5.784029 -0.949993 1.406680
H -6.318535 -0.126648 0.222627
H 4.534846 -1.875240 -2.414632
H -0.891611 -1.193838 -0.781158
H 3.147672 1.165422 2.101355
H -5.600746 2.161889 0.887466
H 2.466883 -0.982229 -3.475106
H -5.764943 -2.425936 -0.579856
H 6.080890 -2.016772 -0.459493
H -1.632975 -3.484262 -1.413783
H 5.213433 0.244512 3.148578
H -4.065501 -4.113931 -1.323246
H 6.689965 -1.344859 1.878603
H -3.791163 3.745138 1.237381
H -2.100594 3.317979 1.042211
H 0.025514 1.231035 -1.814959
H 0.460120 0.381482 -3.283717
H 0.213259 3.098030 2.628293


