%chk=000004798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004798

0 1
 P    4.023300      0.1997000       1.517500    
 P    4.174400      -1.824500     -0.9523000    
 O  -0.2174000       1.260200      0.7945000    
 O   0.7768000       2.132600      -2.541000    
 O   -1.911700       3.336300      -1.579000    
 O    2.477600      0.5927000       1.258300    
 O    4.759700       1.613300       1.791000    
 O    4.229800     -0.8207000       2.598600    
 O    4.355800      -2.966800      0.1756000    
 O    2.571900      -1.665400      -1.077200    
 O    4.899300      -2.071000      -2.241100    
 N   -2.555500      0.9749000      0.5627000    
 N   -4.483800      0.2413000       1.409800    
 N   -1.945900     -0.9405000     -0.8017000    
 N   -3.619800      -2.709600     -0.6459000    
 N   -5.586100      -2.502800      0.7024000    
 C   0.2874000       2.365200      -1.234000    
 C   -1.212900       2.172300      -1.173300    
 C   0.7698000       1.311500     -0.2498000    
 C   -1.428200       1.868800      0.3050000    
 C    2.127700       1.626000      0.3520000    
 C   -2.746200     -0.2752000      4.4799998E-02
 C   -3.625600       1.239400       1.376800    
 C   -3.946700     -0.7120000      0.5817000    
 C    4.672800     -0.3126000     -9.1799997E-02
 C   -4.378900      -1.980300      0.2070000    
 C   -2.467400      -2.152600      -1.090700    
 H   0.5657000       3.381700     -0.9328000    
 H   -1.522700       1.364400      -1.843500    
 H   0.7982000      0.3172000     -0.7106000    
 H   -1.601600       2.784500      0.8832000    
 H    2.087600       2.557200      0.9270000    
 H    2.876100       1.738900     -0.4344000    
 H   0.5441000       1.224700      -2.799400    
 H   -2.858600       3.175100      -1.427500    
 H   -3.726700       2.171000       1.916900    
 H    4.552200      0.5084000     -0.8039000    
 H    5.754600     -0.4137000      5.7399999E-02
 H   -1.884900      -2.764200      -1.771300    
 H    4.616400       2.064400       2.650000    
 H   -6.154900      -1.960200       1.338200    
 H   -5.879200      -3.426400      0.4145000    
 H    4.173800      -3.901300     -6.0800001E-02
 H    2.059600      -2.358800      -1.545100    


%chk=000004798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004798

0 1
P 3.805670 -0.080085 1.117320
P 2.365275 -1.454178 -1.356224
O -0.392276 2.064111 1.129482
O 1.449065 1.989116 -2.081506
O -1.602696 3.352433 -1.864186
O 2.670794 1.008672 1.861267
O 5.331615 0.715252 1.257462
O 3.717358 -1.514397 1.822911
O 1.792409 -2.278839 0.051797
O 0.994285 -0.546756 -1.705573
O 2.991847 -2.352714 -2.505761
N -2.360794 0.855801 0.341885
N -4.182443 -0.277062 1.182397
N -1.190216 -1.165025 -0.675303
N -2.412930 -3.240743 -0.323944
N -4.475074 -3.288428 0.815557
C 0.609613 2.460065 -1.003875
C -0.910307 2.227013 -1.246893
C 0.845246 1.742060 0.353235
C -1.505319 2.057042 0.172209
C 2.088590 2.166008 1.128071
C -2.177298 -0.491950 0.002920
C -3.578906 0.909547 1.056243
C -3.314879 -1.165801 0.529280
C 3.621169 -0.142141 -0.731834
C -3.418612 -2.574991 0.346689
C -1.370128 -2.526478 -0.785596
H 0.789934 3.545674 -0.898861
H -1.034653 1.311041 -1.859018
H 0.882980 0.650383 0.187289
H -2.147237 2.921268 0.408526
H 1.827611 2.890097 1.916752
H 2.841716 2.614522 0.451638
H 1.282465 0.974466 -2.160063
H -1.205185 3.519201 -2.756366
H -3.956901 1.851458 1.448268
H 3.347784 0.839654 -1.156486
H 4.607391 -0.450262 -1.117647
H -0.566102 -3.066260 -1.290329
H 5.728875 0.699082 2.166165
H -5.223234 -2.815304 1.320858
H -4.496590 -4.297010 0.670381
H 2.459755 -2.364244 0.811234
H -0.129767 -0.808199 -1.172572


