%chk=000001874.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001874

0 1
 P    3.312500      -3.069600     -0.1976000    
 P   -5.334200     -0.8918000      8.2400002E-02
 O    2.152300      0.9868000      -1.017000    
 O    1.587200       1.637000       1.889800    
 O    4.254200       3.089600     -4.4300001E-02
 O    3.313600      -1.521000     -0.6702000    
 O   -4.230500      0.2616000     -0.1466000    
 O    2.176300      -3.119100      0.9522000    
 O    4.691900      -3.193700      0.6371000    
 O    3.149200      -4.069900      -1.304500    
 O   -5.189800      -1.275600       1.646900    
 O   -6.721700     -5.9999999E-02  4.0300000E-02
 O   -5.272000      -2.043300     -0.8785000    
 N   4.9300000E-02   1.952900     -0.4598000    
 N   -2.129500       2.437800     -0.5799000    
 N  -8.7600000E-02 -0.4231000      3.2099999E-02
 N   -2.405700      -1.174300      0.1666000    
 C    2.145000       2.445100      0.8615000    
 C    3.575700       2.016800      0.6054000    
 C    1.494000       2.150200     -0.4865000    
 C    3.433200      0.8458000     -0.3691000    
 C    3.463100     -0.5138000      0.3151000    
 C  -0.6199000      0.7816000     -0.2229000    
 C  -0.9064000       2.917400     -0.6678000    
 C   -1.965200       1.103900     -0.3023000    
 C   -2.873100      6.9899999E-02 -9.6400000E-02
 C   -1.061900      -1.341100      0.2138000    
 H    2.030100       3.497200       1.140900    
 H    4.131700       1.757100       1.511600    
 H    1.690900       2.965700      -1.194100    
 H    4.190200      0.8756000      -1.161200    
 H    2.645600     -0.6083000       1.035100    
 H    4.415100     -0.6505000      0.8371000    
 H    2.080700       1.823400       2.706700    
 H    5.156600       2.785200     -0.2413000    
 H  -0.6485000       3.946700     -0.8766000    
 H  -0.7236000      -2.349600      0.4256000    
 H    1.939400      -3.984500       1.348500    
 H    4.973700      -4.076100      0.9595000    
 H   -5.738200      -2.003800       2.009300    
 H   -7.570000     -0.5523000      5.6000002E-02


%chk=000001874-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001874

0 1
P 3.021867 -2.703691 -0.052419
P -5.726366 -1.234169 0.147773
O 2.413350 0.524743 -0.701754
O 1.380115 1.691669 1.792571
O 4.072802 3.303603 -0.134549
O 4.322224 -1.568927 0.221729
O -4.251353 0.048134 -0.439568
O 1.796825 -2.180425 0.961571
O 3.632292 -4.055123 0.821724
O 2.717609 -3.021209 -1.578446
O -4.798721 -2.370157 0.810934
O -6.300603 -0.212957 1.408151
O -6.689049 -1.339731 -1.101229
N 0.193176 1.441200 -0.757821
N -1.990817 1.960029 -1.270297
N -0.205123 -0.770030 0.357310
N -2.531713 -1.315929 0.446900
C 2.030067 2.418328 0.712790
C 3.561443 2.190660 0.675333
C 1.619295 1.746564 -0.623003
C 3.724870 0.810736 -0.027475
C 4.052410 -0.322980 0.945981
C -0.577591 0.395087 -0.262046
C -0.712941 2.344552 -1.357755
C -1.929673 0.738711 -0.590751
C -2.975103 -0.158107 -0.211807
C -1.214671 -1.587428 0.690124
H 1.804638 3.500850 0.720850
H 4.003249 2.196940 1.691363
H 1.879594 2.436648 -1.450948
H 4.491966 0.854022 -0.824728
H 3.235621 -0.457271 1.678973
H 4.998222 -0.091649 1.470144
H 1.422125 2.213640 2.631193
H 5.036579 3.177170 -0.321177
H -0.369326 3.258047 -1.839357
H -0.971258 -2.533822 1.177520
H 1.084370 -1.446983 0.631307
H 3.717007 -4.862060 0.252733
H -3.358751 -1.985812 0.727686
H -7.034958 0.393026 1.127367


